data_2kf2_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 2kf2 _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 ' 2' ' ' ALA . . . . . 0.541 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 C--O 1.236 0.393 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.54 128.35 6.92 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.249 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -100.52 99.22 9.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.983 0.421 . . . . 0.0 110.464 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.763 ' HG1' ' HE1' ' A' ' 112' ' ' PHE . 23.2 m -96.6 116.67 29.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.12 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -116.72 87.85 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.849 0.357 . . . . 0.0 110.309 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.539 ' OD1' ' HA ' ' A' ' 130' ' ' ASN . 2.1 m120 -98.85 115.54 29.06 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.475 0.655 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.438 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 22.5 mt-10 -113.16 140.24 48.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.087 -175.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.438 HD11 ' HD3' ' A' ' 141' ' ' ARG . 17.5 tt -143.56 139.86 26.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.846 0.355 . . . . 0.0 110.673 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 m -86.99 132.51 33.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.379 -175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.447 HG12 ' HG3' ' A' ' 141' ' ' ARG . 20.2 mt -124.23 141.09 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.49 21.74 5.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.929 0.395 . . . . 0.0 111.252 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -95.17 140.99 22.64 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 22.5 Cg_exo -64.48 148.16 90.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.954 2.436 . . . . 0.0 112.171 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.485 ' HE2' ' HD3' ' A' ' 76' ' ' ARG . 79.1 mmm -49.3 -41.84 39.5 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.053 -177.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -54.03 -53.9 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.46 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.576 ' HA ' HG21 ' A' ' 20' ' ' THR . 6.1 tp -73.1 -37.18 66.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.431 -174.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.491 ' HA ' HD11 ' A' ' 144' ' ' ILE . 96.8 t -57.03 -48.0 82.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.003 0.43 . . . . 0.0 110.703 175.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -66.38 -53.43 36.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.624 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.576 HG21 ' HA ' ' A' ' 17' ' ' LEU . 11.6 t -65.49 -34.28 77.91 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.5 tpp -69.28 -43.77 73.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.85 0.357 . . . . 0.0 110.703 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.8 p -74.39 -19.32 60.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.463 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -81.97 -23.43 36.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.818 0.342 . . . . 0.0 110.608 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -85.52 81.75 8.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.352 0.596 . . . . 0.0 109.4 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.615 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 29.8 pt -68.69 -14.5 18.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.893 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.9 -16.15 61.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.253 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -103.06 2.4 34.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.275 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.615 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 38.3 m0 -56.74 -43.38 99.34 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.67 -16.15 23.59 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.181 1.921 . . . . 0.0 113.277 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.29 -7.59 72.72 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.097 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.807 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 7.3 mp -118.91 -39.66 2.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.153 0.502 . . . . 0.0 110.214 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.82 112.35 24.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.273 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.7 m -81.59 -5.98 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.882 178.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -75.16 -21.95 58.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.881 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -115.66 173.22 6.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.024 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.25 -33.28 3.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.871 0.367 . . . . 0.0 111.16 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.516 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 50.8 m -148.94 140.7 23.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.89 0.376 . . . . 0.0 111.08 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 28' ' ' TRP . 64.7 t -121.08 102.27 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.26 126.18 47.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.258 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.509 HG21 HD13 ' A' ' 25' ' ' ILE . 3.5 t -84.64 102.1 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.4 -44.01 68.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.296 0.569 . . . . 0.0 109.93 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.39 156.16 25.66 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.527 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -121.56 108.81 14.04 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.223 0.535 . . . . 0.0 110.461 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 37.4 t70 -92.94 58.95 3.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.338 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 59.78 -83.91 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.702 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -78.44 -36.16 45.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.536 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.828 ' HG2' HG21 ' A' ' 70' ' ' VAL . 77.2 mttt -89.49 111.2 22.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.453 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.514 HG13 ' HB3' ' A' ' 69' ' ' ARG . 7.6 p -98.66 105.82 17.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-O 121.661 0.743 . . . . 0.0 109.001 170.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.5 m -94.88 118.09 31.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.181 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' HB3' HD12 ' A' ' 25' ' ' ILE . 19.7 p90 -128.58 164.52 22.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.44 0.638 . . . . 0.0 111.891 -174.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -112.21 114.51 27.35 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.273 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.53 ' O ' ' HA ' ' A' ' 64' ' ' SER . 63.3 mt -84.77 104.49 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.982 0.42 . . . . 0.0 110.263 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.516 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 38.9 m -102.96 126.62 50.2 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.567 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.839 ' HE3' ' HH2' ' A' ' 65' ' ' TRP . 42.0 mtt -101.35 175.26 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.683 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -71.73 153.55 93.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.304 172.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.64 ' HG3' HG23 ' A' ' 62' ' ' VAL . 28.1 Cg_exo -61.83 154.88 58.01 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.775 2.317 . . . . 0.0 112.757 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD2' ' HB3' ' A' ' 61' ' ' LYS . 18.4 p30 -81.82 -167.0 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.91 -21.31 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.103 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.46 -3.66 43.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.233 0.539 . . . . 0.0 110.247 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.4 17.79 51.48 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.126 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 87.7 tttt -94.1 127.21 39.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.67 0.271 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.64 HG23 ' HG3' ' A' ' 56' ' ' PRO . 42.7 t -85.43 134.92 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.43 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -105.26 136.58 44.53 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.979 0.419 . . . . 0.0 110.597 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.53 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 73.9 p -156.35 147.36 22.12 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.673 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.839 ' HH2' ' HE3' ' A' ' 54' ' ' MET . 47.8 p90 -148.32 149.76 32.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.0 136.08 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -139.55 146.43 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.503 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -104.78 119.54 39.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.412 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.514 ' HB3' HG13 ' A' ' 48' ' ' VAL . 71.3 ttt-85 -106.35 107.26 18.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.918 0.39 . . . . 0.0 110.034 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.828 HG21 ' HG2' ' A' ' 47' ' ' LYS . 24.1 t -94.05 128.56 45.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.733 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.493 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -93.26 110.92 22.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.494 175.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -105.41 92.34 5.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 13.0 Cg_exo -69.87 -26.92 26.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.138 2.558 . . . . 0.0 113.426 -170.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.9 t -66.67 -46.34 86.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.829 0.347 . . . . 0.0 111.383 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 p -98.91 10.79 40.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.378 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.485 ' HD3' ' HE2' ' A' ' 15' ' ' MET . 64.2 mtt180 55.31 44.32 27.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.25 0.548 . . . . 0.0 109.863 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -119.48 139.28 52.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.439 -172.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 91.0 t -114.79 126.7 72.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 172.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 79' ' ' ARG . 33.6 mtt180 -111.73 102.66 10.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.355 -177.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.05 99.45 9.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.945 0.403 . . . . 0.0 110.753 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -102.02 138.15 39.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.017 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -89.42 122.52 32.71 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.756 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.4 t -73.43 -49.65 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.386 0.612 . . . . 0.0 109.564 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 42.5 mt-10 -96.69 121.0 38.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.323 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 88' ' ' PHE . 5.5 t -159.27 145.76 16.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.896 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -111.23 -82.96 1.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.541 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.57 -24.35 74.77 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.966 2.444 . . . . 0.0 112.809 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.401 ' HB2' ' OG1' ' A' ' 85' ' ' THR . 81.6 m-85 -95.54 101.12 12.8 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -60.61 -39.62 88.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.906 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -135.14 141.96 46.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.398 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 42.7 ttm -159.11 108.61 1.92 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.254 0.549 . . . . 0.0 111.326 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -124.71 115.94 21.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.119 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.507 HG21 ' HG2' ' A' ' 110' ' ' GLN . 23.8 mt -99.02 106.46 18.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.989 0.423 . . . . 0.0 110.337 -176.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.549 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 97.0 t -98.32 112.79 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.055 -177.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 26.4 m0 -98.26 102.15 13.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -98.44 129.99 45.05 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -101.37 115.11 29.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.067 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.47 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . . . -105.78 107.33 18.27 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.077 -175.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.46 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 36.0 tt0 -68.21 106.5 2.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.913 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.4 m -120.88 163.22 18.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.151 -175.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.83 -29.5 66.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.52 -24.5 42.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 0.0 110.775 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.61 -169.44 27.8 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.695 -173.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.3 m -79.89 108.96 13.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.866 0.365 . . . . 0.0 110.41 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.47 ' HB ' ' HB2' ' A' ' 98' ' ' ALA . 98.7 t -82.5 117.89 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 49.0 ttp -94.85 118.35 31.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.061 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.438 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 40.3 ttm180 -105.8 114.71 29.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.698 -177.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -96.3 91.36 5.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.163 0.506 . . . . 0.0 110.443 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.549 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 92.0 m -89.73 98.62 11.87 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.796 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.507 ' HG2' HG21 ' A' ' 93' ' ' ILE . 86.1 mt-30 -95.39 102.93 14.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.386 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -89.01 98.36 11.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.763 ' HE1' ' HG1' ' A' ' 5' ' ' THR . 50.0 p90 -124.97 146.08 49.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.068 0.461 . . . . 0.0 110.495 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.541 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -130.26 108.21 9.85 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.836 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.549 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 60.7 mtp -98.84 141.29 31.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.178 0.514 . . . . 0.0 110.813 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 1.8 ttpm? -164.51 -56.98 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.502 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 11.6 Cg_endo -55.81 101.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.253 1.969 . . . . 0.0 112.749 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.9 t70 56.66 36.24 27.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.3 112.71 49.87 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -81.03 -2.14 11.59 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.786 2.324 . . . . 0.0 112.019 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 124' ' ' TRP . 9.3 m -115.76 156.77 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.752 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.637 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 38.8 t70 -97.3 29.51 3.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.324 -174.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 69.44 -48.43 0.6 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.161 -178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.44 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.637 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 95.7 m95 -60.0 -41.36 91.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.436 175.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.549 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 96.8 mmm -67.16 -50.48 61.02 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.87 177.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.4 m -51.96 -46.54 64.83 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.548 0.53 . . . . 0.0 111.589 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 18.9 t70 -57.79 -49.86 75.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 110.48 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -66.67 -37.85 85.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.704 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 125' ' ' MET . 75.6 mt -62.82 -45.98 97.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.539 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 13.9 m120 -53.36 -46.69 69.69 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.102 0.477 . . . . 0.0 110.411 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 81.8 mtt-85 -67.96 -51.15 50.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.068 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -66.33 -32.03 73.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 137' ' ' MET . 18.3 t -59.85 -43.87 94.4 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 130' ' ' ASN . 67.4 mtm180 -58.79 -40.53 84.3 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.152 176.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.8 m -64.93 -60.03 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.277 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -71.88 -44.11 64.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.188 -173.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.611 ' HB2' ' O ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -66.34 -36.76 83.74 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 121.256 -0.178 . . . . 0.0 110.985 -177.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.08 -36.77 75.16 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.473 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.13 -51.44 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.551 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.472 HG23 HD21 ' A' ' 31' ' ' LEU . 75.8 mt -64.94 -39.55 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.261 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 137' ' ' MET . 16.2 ttp85 -52.0 -56.34 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.993 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -69.12 -40.12 78.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.807 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 9.4 tpt180 -52.4 -52.63 52.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.017 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 18' ' ' VAL . 15.7 tt -76.32 -30.31 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.56 -38.08 83.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.034 0.445 . . . . 0.0 109.844 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.99 -37.0 85.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.354 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.07 -38.55 85.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.31 -19.3 60.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.073 0.463 . . . . 0.0 110.878 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -85.24 -30.85 24.15 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.349 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.469 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.5 124.04 12.39 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.431 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -121.93 92.26 3.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.953 0.406 . . . . 0.0 109.997 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.525 ' OG1' ' HB2' ' A' ' 110' ' ' GLN . 3.0 p -101.69 101.93 12.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.47 -178.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 30.6 t70 -94.58 100.41 12.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.452 HD22 ' HB ' ' A' ' 5' ' ' THR . 34.6 m-80 -105.97 102.04 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.927 0.394 . . . . 0.0 111.102 -175.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.808 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 27.6 mt-10 -92.09 130.12 37.89 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.409 HG23 ' HB3' ' A' ' 137' ' ' MET . 6.0 tp -129.96 112.5 24.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.308 0.575 . . . . 0.0 109.936 173.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 m -79.7 113.42 17.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.432 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.523 HD12 HG21 ' A' ' 144' ' ' ILE . 62.0 mt -106.51 129.15 60.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.205 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.4 71.46 9.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.25 0.548 . . . . 0.0 110.305 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.43 149.43 24.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.858 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.473 ' O ' HG22 ' A' ' 18' ' ' VAL . 35.1 Cg_exo -62.11 137.83 68.94 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.008 2.472 . . . . 0.0 112.049 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.414 ' HE1' ' HB3' ' A' ' 97' ' ' TYR . 75.3 mtp -61.8 -20.82 64.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.253 -174.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.99 -60.36 3.99 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.675 0.274 . . . . 0.0 110.735 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.63 ' HA ' HG23 ' A' ' 20' ' ' THR . 23.1 tp -69.42 -31.69 70.19 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.541 ' HA ' HD11 ' A' ' 144' ' ' ILE . 89.8 t -56.94 -50.9 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.684 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -65.93 -49.91 66.28 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.56 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.63 HG23 ' HA ' ' A' ' 17' ' ' LEU . 13.9 t -67.15 -17.01 64.66 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -173.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 83.4 mtp -93.34 -45.72 7.69 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.328 177.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.658 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 45.5 p -80.22 -22.33 41.94 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.767 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 12.8 t30 -86.01 -26.27 25.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.706 0.289 . . . . 0.0 110.923 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.514 ' OD2' ' HG2' ' A' ' 27' ' ' LYS . 13.6 t70 -79.3 97.98 6.5 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.528 ' HB ' HG13 ' A' ' 38' ' ' VAL . 20.4 pt -63.37 -21.06 27.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.158 -169.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.95 3.07 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.059 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HG2' ' OD2' ' A' ' 24' ' ' ASP . 47.7 mmtm -92.09 -20.2 21.52 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.512 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 48.5 m0 -55.01 -51.12 82.15 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.938 -175.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.9 Cg_endo -59.04 -18.35 42.8 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.302 2.001 . . . . 0.0 113.301 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.23 -27.07 56.42 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.788 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.35 -45.41 5.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.771 0.32 . . . . 0.0 110.573 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -94.27 119.85 33.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.943 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 p -73.08 -32.15 64.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.38 -29.63 67.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -170.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -86.42 137.86 32.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' HB2' ' HA ' ' A' ' 55' ' ' HIS . . . -96.67 -58.54 2.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.653 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 m -134.59 135.32 42.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.528 HG13 ' HB ' ' A' ' 25' ' ' ILE . 66.5 t -104.08 106.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -93.87 119.61 33.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.989 -172.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.496 HG22 HD12 ' A' ' 25' ' ' ILE . 32.0 t -81.67 99.46 4.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.8 0.334 . . . . 0.0 110.245 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.45 -44.61 70.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.916 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.13 161.87 33.04 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.846 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -107.23 161.42 14.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.93 0.395 . . . . 0.0 110.154 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.749 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 30.6 t70 -138.07 159.45 42.0 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -49.66 -42.11 44.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.018 0.437 . . . . 0.0 111.638 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -124.4 10.07 8.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.407 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.869 ' HG2' HG21 ' A' ' 70' ' ' VAL . 40.2 mttp -137.57 178.03 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 111.739 -175.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.0 p -148.38 117.83 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.588 167.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.411 HG23 ' HG2' ' A' ' 68' ' ' GLU . 9.2 m -90.19 113.69 25.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.943 -177.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -127.31 161.01 29.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.168 0.508 . . . . 0.0 111.413 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -113.83 112.59 23.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.283 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 64' ' ' SER . 46.3 mt -81.51 106.1 13.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.585 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.6 p -102.4 120.07 39.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.832 ' HE3' ' HH2' ' A' ' 65' ' ' TRP . 41.7 mtt -82.47 172.01 13.49 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.459 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 38.0 p-80 -59.98 141.04 90.16 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.415 178.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -51.96 119.47 5.75 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.696 2.264 . . . . 0.0 111.931 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.46 159.38 34.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.671 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.39 -26.8 54.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.453 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.19 -5.45 41.91 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.121 0.486 . . . . 0.0 111.038 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.69 14.35 61.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.783 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -109.58 142.67 40.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.992 0.425 . . . . 0.0 111.048 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.57 102.07 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.088 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -69.59 107.28 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.675 0.75 . . . . 0.0 110.721 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 6.6 m -126.68 141.8 51.74 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.629 -175.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.832 ' HH2' ' HE3' ' A' ' 54' ' ' MET . 44.7 p90 -144.49 149.46 35.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.802 0.334 . . . . 0.0 110.404 176.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -81.77 129.6 37.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.505 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.9 t -141.78 147.47 37.37 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HG2' HG23 ' A' ' 49' ' ' THR . 42.9 mt-10 -118.77 132.07 56.13 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.82 -178.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 23' ' ' ASN . 31.6 ttt85 -101.74 107.12 18.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.37 176.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.869 HG21 ' HG2' ' A' ' 47' ' ' LYS . 40.0 t -88.75 105.52 15.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.687 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.511 ' HA ' HG22 ' A' ' 78' ' ' VAL . . . -107.72 108.21 19.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.664 0.269 . . . . 0.0 111.556 -175.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 22.9 t70 -104.95 106.03 53.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 12.5 Cg_exo -70.63 -23.28 27.01 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 123.154 2.569 . . . . 0.0 112.839 -175.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.4 t -71.12 -52.09 29.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.114 0.483 . . . . 0.0 110.368 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -80.42 -15.29 57.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.04 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 60.85 39.63 16.73 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.032 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.5 m -131.46 130.88 43.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.779 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 97.7 t -119.01 136.21 56.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.233 -176.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.461 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 99.5 mtt180 -110.94 110.39 20.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.615 178.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.89 94.26 6.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -93.13 133.11 36.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.932 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 ttt-85 -85.04 106.67 16.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.093 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.3 -48.55 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.032 0.444 . . . . 0.0 110.432 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -90.19 150.08 22.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.677 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 17.1 p -121.81 -91.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.59 -107.82 3.44 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.231 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.77 -2.61 11.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.837 2.358 . . . . 0.0 112.326 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.677 ' O ' ' HB ' ' A' ' 85' ' ' THR . 96.3 m-85 -123.01 155.13 37.46 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -95.24 -37.55 10.97 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.9 0.381 . . . . 0.0 110.494 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -149.51 146.65 27.5 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 54.7 ttm -160.02 110.67 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 0.0 111.29 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -128.72 113.62 15.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.877 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.492 HG23 ' HG2' ' A' ' 110' ' ' GLN . 44.5 mt -95.16 113.53 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.516 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.55 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 38.4 t -93.84 120.79 43.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.397 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.658 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.2 m0 -97.57 98.22 9.72 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.832 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 48.5 mt-10 -91.0 114.17 26.62 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.409 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.414 ' HB3' ' HE1' ' A' ' 15' ' ' MET . 21.2 m-85 -91.48 109.26 20.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.451 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.78 121.21 43.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.046 0.451 . . . . 0.0 111.287 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.41 122.68 18.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.533 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 103' ' ' GLY . 1.9 m -135.06 153.96 51.86 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.17 -14.46 57.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.318 0.58 . . . . 0.0 110.335 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.89 17.9 20.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.596 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.499 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 135.34 -169.23 23.48 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.272 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.3 m -109.43 117.3 33.67 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -91.44 102.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 44.7 ttp -92.98 118.64 31.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.832 ' HB2' ' HB2' ' A' ' 96' ' ' GLU . 35.8 mtp85 -103.21 114.62 29.06 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.489 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 3.8 m0 -89.39 82.49 6.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.845 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.55 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 8.7 m -87.64 94.97 9.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.525 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 85.8 mt-30 -91.64 109.38 20.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.786 -177.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -95.73 100.75 12.43 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -128.37 169.47 14.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.892 0.377 . . . . 0.0 110.443 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.34 128.44 12.76 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 115' ' ' LYS . 39.1 mtp -92.95 -119.61 0.09 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 119.118 -0.468 . . . . 0.0 110.139 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 114' ' ' MET . 23.5 mtpp 109.22 -32.75 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.037 1.335 . . . . 0.0 113.355 174.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.495 ' HD2' ' C ' ' A' ' 114' ' ' MET . 64.8 Cg_exo -44.75 159.31 0.13 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.278 1.319 . . . . 0.0 111.48 164.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -75.92 27.37 0.11 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.357 -173.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 116' ' ' PRO . . . -66.88 143.07 97.82 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.124 177.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.86 -44.54 46.52 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.905 2.404 . . . . 0.0 112.456 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.596 HG11 ' HD1' ' A' ' 124' ' ' TRP . 27.4 m -81.68 135.35 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.075 175.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.84 -177.57 3.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.35 -42.76 67.13 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.641 0.588 . . . . 0.0 111.342 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.04 -45.63 48.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.035 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.596 ' HD1' HG11 ' A' ' 120' ' ' VAL . 68.0 t-105 -69.16 -33.6 73.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.958 0.409 . . . . 0.0 110.254 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.692 ' HA ' ' HE3' ' A' ' 125' ' ' MET . 1.1 mmt -62.53 -38.93 91.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.088 173.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.51 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 87.8 m -56.55 -49.99 73.19 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.267 0.354 . . . . 0.0 110.989 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 8.8 t70 -57.22 -50.33 73.19 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.793 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -62.38 -47.4 84.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.41 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.92 -41.11 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.058 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -56.71 -48.83 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.874 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 38.6 mtt-85 -69.63 -51.25 36.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -64.54 -46.03 84.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.286 -174.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.8 m -68.02 -34.37 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.103 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -56.46 -48.64 76.66 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.0 m -68.91 -47.77 64.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.369 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -65.77 -46.47 78.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.727 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.409 ' HB3' HG23 ' A' ' 9' ' ' ILE . 89.3 mmm -68.28 -30.05 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.66 89.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.606 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.45 -48.1 81.12 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.03 0.443 . . . . 0.0 110.235 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.33 -42.57 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.276 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.471 ' HA ' HG23 ' A' ' 144' ' ' ILE . 1.1 tmt_? -59.74 -42.65 93.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.937 177.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 11.6 t70 -60.84 -49.44 77.45 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 143' ' ' ARG . 53.9 mmt-85 -62.74 -45.5 92.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.808 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.541 HD11 ' HA ' ' A' ' 18' ' ' VAL . 17.5 tt -70.43 -31.54 47.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 121.126 -0.229 . . . . 0.0 111.475 -174.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.1 -35.38 66.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.452 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 99.4 mt-30 -61.31 -42.49 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.179 0.514 . . . . 0.0 109.724 173.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.23 85.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.324 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . . . -71.55 -20.64 62.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 111.551 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -83.92 -38.8 9.96 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.201 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.392 0.615 . . . . 0.0 110.436 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -110.92 105.99 1.98 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -91.5 92.86 8.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.75 0.31 . . . . 0.0 110.234 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.431 HG23 ' CG2' ' A' ' 129' ' ' ILE . 12.0 m -91.93 101.7 14.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.118 178.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -104.36 88.73 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.629 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -90.0 111.48 22.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.059 0.457 . . . . 0.0 109.822 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.547 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 32.5 mt-10 -103.91 116.36 32.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.708 -175.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.464 HG22 ' HB3' ' A' ' 137' ' ' MET . 15.6 tt -126.56 134.46 66.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.143 0.497 . . . . 0.0 110.919 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.8 m -89.37 116.82 27.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.86 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.1 mt -102.23 127.72 55.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.865 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.58 68.22 10.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.153 0.502 . . . . 0.0 110.627 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.63 148.95 19.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.606 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.536 ' O ' HG22 ' A' ' 18' ' ' VAL . 20.4 Cg_endo -60.99 138.73 80.55 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.281 2.654 . . . . 0.0 112.344 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.469 ' HG2' ' OG1' ' A' ' 104' ' ' THR . 78.3 mtp -58.23 -36.1 72.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.56 -172.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.17 -56.03 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -174.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.655 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 22.6 tp -64.21 -32.67 74.34 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 122.458 -0.151 . . . . 0.0 111.246 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 14' ' ' PRO . 96.2 t -60.52 -53.36 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.922 0.392 . . . . 0.0 110.082 175.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.405 ' CZ2' ' HB1' ' A' ' 71' ' ' ALA . 47.0 t-105 -56.13 -45.3 79.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.958 0.885 . . . . 0.0 109.655 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.655 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 4.5 m -57.5 -43.5 84.26 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.176 -1.374 . . . . 0.0 112.18 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 96.6 mmm -71.03 -40.11 71.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.47 0.176 . . . . 0.0 111.399 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.6 p -75.82 -14.16 60.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.34 . . . . 0.0 111.494 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -77.94 -24.98 48.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.734 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 13.4 t0 -79.23 81.97 5.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.582 HG23 ' CZ2' ' A' ' 28' ' ' TRP . 28.6 pt -65.7 -24.92 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.805 -171.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.22 -22.91 61.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 111.315 -175.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HZ2' ' CG ' ' A' ' 24' ' ' ASP . 56.0 mttp -100.07 9.12 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.582 ' CZ2' HG23 ' A' ' 25' ' ' ILE . 41.0 m0 -56.78 -48.27 97.58 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.769 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 15.5 Cg_endo -57.81 -19.74 40.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.391 2.061 . . . . 0.0 113.085 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.24 -23.98 77.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.832 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.39 -47.33 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.178 0.513 . . . . 0.0 110.398 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -78.91 166.38 22.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.468 -176.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 p -124.74 29.68 6.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.576 ' HG2' ' HE1' ' A' ' 54' ' ' MET . 32.4 tt0 -125.86 -25.41 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -174.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -117.27 160.31 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.228 -0.295 . . . . 0.0 111.207 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.93 -63.0 1.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.325 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.554 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 35.9 m -118.39 111.71 19.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.965 0.412 . . . . 0.0 111.002 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.1 t -102.39 103.3 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -103.56 132.43 49.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -174.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.507 HG23 HD13 ' A' ' 25' ' ' ILE . 21.5 t -77.89 125.61 37.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.227 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.9 mt -95.2 -19.73 19.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.353 0.596 . . . . 0.0 109.852 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.18 -176.85 23.99 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -156.23 137.53 13.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 117.614 0.707 . . . . 0.0 111.856 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.643 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 38.7 t70 -91.83 72.5 5.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.676 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 61.72 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.542 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -95.12 -27.78 15.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.782 0.325 . . . . 0.0 110.905 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.689 ' HG2' HG22 ' A' ' 70' ' ' VAL . 97.3 mttt -79.97 97.31 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.748 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 69' ' ' ARG . 10.9 p -89.2 121.17 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.505 0.669 . . . . 0.0 110.309 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 m -100.63 113.9 27.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.618 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.448 ' HB3' HD12 ' A' ' 25' ' ' ILE . 43.6 p90 -123.71 155.99 36.8 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.517 0.675 . . . . 0.0 111.679 -176.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -102.86 113.04 26.14 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.677 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 64' ' ' SER . 13.1 mt -85.32 90.66 7.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 64.2 m -83.8 97.77 9.35 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.633 0.73 . . . . 0.0 109.042 172.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.576 ' HE1' ' HG2' ' A' ' 34' ' ' GLU . 12.5 ttt -82.77 157.33 23.28 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.123 -174.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 18.3 p-80 -58.72 139.17 86.35 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.393 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HG3' HG23 ' A' ' 62' ' ' VAL . 26.6 Cg_exo -62.63 140.05 78.93 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.597 2.198 . . . . 0.0 112.029 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.596 ' HB2' ' CZ2' ' A' ' 63' ' ' TRP . 17.7 t70 -79.58 170.04 17.14 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.36 -21.12 63.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.331 0.586 . . . . 0.0 109.948 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.43 -25.0 68.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.779 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.42 -2.61 68.03 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.098 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -83.09 129.64 35.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.418 HG23 ' HG3' ' A' ' 56' ' ' PRO . 41.6 t -96.44 108.56 21.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 176.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.596 ' CZ2' ' HB2' ' A' ' 57' ' ' ASP . 4.7 m0 -79.34 103.49 9.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.312 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 17.0 t -125.64 102.79 7.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.1 p90 -121.61 171.63 8.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.952 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.7 t -96.4 144.64 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.076 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -143.11 141.46 31.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.832 0.348 . . . . 0.0 110.184 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -109.4 128.47 55.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.374 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.409 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 30.9 ttp85 -118.37 105.84 12.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.867 0.365 . . . . 0.0 110.048 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.689 HG22 ' HG2' ' A' ' 47' ' ' LYS . 40.0 t -90.54 118.2 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.798 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.43 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -105.91 113.65 27.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.537 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.1 100.79 18.4 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 14.4 Cg_exo -69.67 -15.68 37.54 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.264 2.643 . . . . 0.0 112.897 -175.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.3 t -81.37 -41.32 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.321 0.581 . . . . 0.0 110.145 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 m -89.19 -13.66 37.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.691 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? 59.52 41.61 18.83 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.906 -175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.1 m -134.15 132.51 39.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.331 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.523 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 48.4 t -114.77 136.66 50.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.038 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -125.31 117.54 24.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.813 0.34 . . . . 0.0 110.631 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -111.3 113.68 26.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.607 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.445 ' HB3' ' ND2' ' A' ' 92' ' ' ASN . 13.2 pt20 -112.11 141.97 45.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.627 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.611 HH21 ' HG3' ' A' ' 91' ' ' MET . 39.6 mtm180 -98.2 135.37 39.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.436 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.5 t -76.47 -34.93 25.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.359 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.47 138.51 43.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.181 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.596 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 22.5 p -116.1 -156.95 0.63 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.761 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.449 ' H ' ' HB ' ' A' ' 85' ' ' THR . . . -172.79 -107.98 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.75 -27.09 44.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.367 2.045 . . . . 0.0 110.77 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' O ' ' HB ' ' A' ' 85' ' ' THR . 74.5 m-85 -94.87 135.54 36.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.202 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -81.06 -36.95 29.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.449 0.642 . . . . 0.0 109.856 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.543 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 49.6 t80 -129.95 135.78 48.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.848 -176.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.611 ' HG3' HH21 ' A' ' 82' ' ' ARG . 83.2 mmm -141.99 99.84 3.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.677 0.275 . . . . 0.0 111.465 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.445 ' ND2' ' HB3' ' A' ' 81' ' ' GLN . 12.3 t-20 -131.42 107.46 8.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 20.0 mt -92.42 117.4 35.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.811 0.339 . . . . 0.0 110.419 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 39.4 t -105.69 117.18 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.972 -176.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.523 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 49.3 m0 -102.0 101.09 11.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.7 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 107' ' ' ARG . 28.5 tt0 -99.96 125.42 45.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -102.41 114.53 28.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.304 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.69 132.61 51.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.644 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.1 138.42 40.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.135 0.493 . . . . 0.0 110.87 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.453 ' OG1' HG23 ' A' ' 105' ' ' VAL . 18.4 m -140.28 161.89 36.59 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.472 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.25 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.22 5.15 31.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.411 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 156.13 -169.1 33.65 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 119.023 -1.56 . . . . 0.0 113.352 -176.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.469 ' OG1' ' HG2' ' A' ' 15' ' ' MET . 5.3 m -98.91 123.54 43.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.471 -0.365 . . . . 0.0 111.185 -176.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.453 HG23 ' OG1' ' A' ' 100' ' ' THR . 69.6 t -86.27 112.59 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 170.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.404 ' HE1' ' HB3' ' A' ' 106' ' ' MET . 44.8 ttp -94.08 115.77 28.11 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.547 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 19.9 ttm-85 -88.63 98.15 11.51 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.89 85.62 6.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.123 0.487 . . . . 0.0 109.838 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.557 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 56.8 m -89.14 98.93 12.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.448 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -89.06 95.58 10.37 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.77 100.24 13.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.603 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -123.17 167.64 13.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.252 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 90' ' ' TYR . . . -144.95 128.6 17.15 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.493 176.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.402 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 77.1 mtp -105.81 168.74 8.91 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.362 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -169.79 -44.43 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 123.776 0.673 . . . . 0.0 111.149 -176.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.414 ' C ' ' H ' ' A' ' 118' ' ' ALA . 51.6 Cg_exo -43.28 161.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.365 1.415 0 C-N-CA 122.075 1.85 . . . . 0.0 112.565 170.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.04 31.85 0.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.628 0.728 . . . . 0.0 111.03 -168.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -63.71 139.79 97.69 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.374 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 13.8 Cg_exo -70.44 -2.2 10.27 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.128 2.552 . . . . 0.0 112.81 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.6 m -110.09 124.4 66.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.2 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.83 175.65 10.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.874 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -55.37 -45.31 76.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.599 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.92 98.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.675 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -64.35 -42.54 96.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.979 0.419 . . . . 0.0 110.048 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.402 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 90.9 mmm -69.47 -37.84 77.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 91.7 m -57.69 -44.88 86.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.994 0.426 . . . . 0.0 109.999 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.81 -46.28 91.16 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.638 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -57.43 -49.8 75.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.712 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.431 ' CG2' HG23 ' A' ' 5' ' ' THR . 98.8 mt -63.91 -37.0 78.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.122 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -52.06 -47.71 64.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.539 0.209 . . . . 0.0 110.846 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -67.65 -53.75 25.33 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.192 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.03 -48.97 78.47 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.271 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' ' 137' ' ' MET . 28.3 t -60.61 -52.5 64.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.775 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -56.09 -35.19 66.73 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 38.8 m -69.34 -54.38 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.989 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -69.7 -33.52 72.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.68 -176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.464 ' HB3' HG22 ' A' ' 9' ' ' ILE . 29.7 mmt -64.82 -38.62 91.61 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.67 81.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.97 0.414 . . . . 0.0 110.572 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.7 tt -67.94 -49.33 62.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.028 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.495 ' O ' HG12 ' A' ' 144' ' ' ILE . 65.9 mt -63.69 -48.94 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.682 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -41.72 72.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.996 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.583 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 14.1 t70 -60.54 -48.4 81.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.067 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -68.08 -36.11 79.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.162 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 140' ' ' ILE . 36.0 mm -59.47 -47.39 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.144 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.44 -31.27 71.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.015 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . 0.583 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 50.0 mt-30 -63.2 -52.47 62.17 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.088 0.471 . . . . 0.0 110.301 174.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.83 91.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.143 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.479 ' HA ' HD22 ' A' ' 17' ' ' LEU . . . -73.41 -15.05 61.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.67 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -85.59 -30.97 22.86 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.526 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.512 178.2 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.92 90.77 1.19 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.969 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -93.03 89.52 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.114 0.483 . . . . 0.0 109.977 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.3 m -101.16 113.51 26.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.824 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -99.18 95.98 7.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.494 0.664 . . . . 0.0 110.555 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.775 HD22 HG22 ' A' ' 129' ' ' ILE . 91.9 m-20 -91.62 94.87 9.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.552 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.641 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 24.4 mt-10 -101.53 110.7 22.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.515 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.497 HG22 ' HB3' ' A' ' 137' ' ' MET . 14.5 tt -118.6 131.7 70.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.112 0.482 . . . . 0.0 110.294 175.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.8 m -84.22 113.22 20.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.773 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.439 HG23 HG22 ' A' ' 144' ' ' ILE . 30.8 mm -86.56 138.93 18.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.242 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.46 37.97 0.53 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 0.0 111.053 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.53 146.57 32.99 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.024 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.429 ' O ' HG23 ' A' ' 18' ' ' VAL . 46.5 Cg_endo -69.29 161.8 44.4 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.679 2.253 . . . . 0.0 112.234 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.464 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 83.6 mtp -60.22 -20.94 61.01 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.79 -62.74 1.45 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.451 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.94 -32.74 61.84 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.184 -0.207 . . . . 0.0 110.89 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 ' HB ' ' HA ' ' A' ' 15' ' ' MET . 72.9 t -56.5 -54.81 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.027 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -65.11 -42.32 94.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -32.83 63.88 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.262 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.3 mmm -92.36 -41.52 10.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.5 p -74.93 -24.4 58.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.74 0.305 . . . . 0.0 111.734 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.494 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 65.0 t30 -72.01 -24.92 61.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.289 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.7 94.84 8.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.1 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.525 HD11 HG21 ' A' ' 40' ' ' VAL . 36.0 pt -70.35 -19.73 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.39 -171.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.65 -8.39 57.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -103.0 -2.85 26.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.519 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 45.6 m0 -57.96 -51.8 79.15 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.512 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 45.3 Cg_exo -57.61 -27.54 77.49 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 122.324 2.016 . . . . 0.0 113.061 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.5 -39.04 57.4 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.896 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mp -86.33 -48.3 8.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.714 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.418 ' CD2' HD11 ' A' ' 140' ' ' ILE . 0.3 OUTLIER -97.19 103.37 15.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 m -88.47 82.78 6.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.218 0.532 . . . . 0.0 111.198 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -159.86 -46.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.334 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.452 ' HD1' ' SD ' ' A' ' 54' ' ' MET . 29.6 m-85 -79.46 130.97 35.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.309 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.47 86.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.838 0.352 . . . . 0.0 110.998 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.4 t -165.96 153.42 10.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.295 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.506 HG11 ' HB ' ' A' ' 25' ' ' ILE . 98.9 t -110.85 103.22 15.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -94.25 131.7 39.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.285 -173.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.525 HG21 HD11 ' A' ' 25' ' ' ILE . 38.3 t -78.83 105.24 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.895 177.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.3 tp -82.0 -27.27 33.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.389 0.614 . . . . 0.0 109.563 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.37 -176.56 35.31 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.116 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 48' ' ' VAL . 64.6 mtp180 -132.84 124.93 28.88 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.833 0.316 . . . . 0.0 110.522 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -81.88 68.92 8.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 57.68 -85.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.62 -1.173 . . . . 0.0 112.286 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.08 -12.93 42.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.971 0.415 . . . . 0.0 110.565 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -107.0 165.84 11.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.168 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.566 HG13 ' HB3' ' A' ' 69' ' ' ARG . 7.3 p -126.09 123.54 64.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 110.035 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.1 m -101.68 116.13 32.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.237 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 67' ' ' SER . 36.1 p90 -119.65 146.28 45.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.134 0.492 . . . . 0.0 110.819 -175.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -110.56 117.09 32.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.715 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.5 mt -83.46 113.68 20.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.6 p -95.09 121.55 36.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.865 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.466 ' HB2' ' HB2' ' A' ' 63' ' ' TRP . 86.9 mmm -106.42 168.57 9.07 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 7.4 p80 -63.5 134.6 95.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.025 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.517 ' HG3' HG21 ' A' ' 62' ' ' VAL . 22.7 Cg_exo -65.23 153.0 80.34 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.847 2.364 . . . . 0.0 112.35 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.19 164.29 13.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.614 174.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.37 61.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 110.869 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.03 -29.98 66.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.548 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.4 -3.39 20.19 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.633 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -73.96 116.42 14.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.829 0.347 . . . . 0.0 110.435 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.517 HG21 ' HG3' ' A' ' 56' ' ' PRO . 43.6 t -80.67 118.61 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.491 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.466 ' HB2' ' HB2' ' A' ' 54' ' ' MET . 19.7 m0 -79.87 117.26 20.57 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -150.34 136.31 18.5 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.48 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.455 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 7.4 p90 -137.53 137.17 38.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.039 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.0 t -83.11 140.46 16.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.423 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 16.5 m -140.36 155.53 46.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.471 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.84 121.1 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.681 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HB3' HG13 ' A' ' 48' ' ' VAL . 46.3 ttt-85 -105.28 116.93 32.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.38 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.31 114.1 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.186 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.69 109.3 20.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.506 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 17.8 t70 -97.21 111.65 58.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.977 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 5.0 Cg_exo -78.38 -11.45 15.9 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.259 2.639 . . . . 0.0 113.028 -175.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -82.83 -51.28 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.282 0.563 . . . . 0.0 110.077 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m -83.83 -19.39 35.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.749 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 61.13 50.81 4.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.151 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.3 m -134.63 132.6 39.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.806 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.507 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 60.4 t -114.28 124.97 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.634 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -108.91 115.12 29.47 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.196 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.01 96.06 6.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.368 0.604 . . . . 0.0 109.879 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -97.7 134.03 41.43 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.381 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.594 HH12 ' HA ' ' A' ' 85' ' ' THR . 41.0 mtm105 -95.11 118.01 31.17 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.332 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.4 t -71.7 -40.85 70.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.211 0.529 . . . . 0.0 109.717 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 43.4 mt-10 -102.02 149.14 24.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.042 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.594 ' HA ' HH12 ' A' ' 82' ' ' ARG . 7.0 t -151.43 176.21 11.51 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.029 -176.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.435 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . -126.08 -97.24 1.05 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.772 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 4.7 Cg_exo -75.28 2.29 6.93 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.887 2.391 . . . . 0.0 112.434 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -109.06 137.02 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -82.55 -30.44 29.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.278 0.561 . . . . 0.0 110.064 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -150.98 153.05 34.45 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.0 ttm -166.91 110.02 0.71 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.179 0.514 . . . . 0.0 111.821 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -119.39 116.97 27.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.502 HG22 ' HG2' ' A' ' 110' ' ' GLN . 40.7 mt -95.28 103.07 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.871 0.367 . . . . 0.0 110.55 -175.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.8 t -90.39 109.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.048 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.507 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 30.4 m0 -86.1 94.26 9.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.392 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -96.12 125.31 40.56 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -106.12 114.79 29.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.878 0.371 . . . . 0.0 110.693 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.555 ' HB1' ' HB ' ' A' ' 105' ' ' VAL . . . -106.43 101.94 11.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.296 0.57 . . . . 0.0 110.091 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.427 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 41.7 tt0 -61.91 129.51 41.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.715 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -128.46 169.44 14.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.59 -42.63 98.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.659 0.266 . . . . 0.0 111.68 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.89 -39.19 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.525 -175.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 11' ' ' ILE . . . -166.68 -169.21 29.99 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.449 -0.882 . . . . 0.0 112.268 -178.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m -99.9 125.41 45.88 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.542 0.211 . . . . 0.0 111.048 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.555 ' HB ' ' HB1' ' A' ' 98' ' ' ALA . 74.9 t -78.57 100.46 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 170.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 46.0 ttp -83.88 105.31 14.67 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.641 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 23.2 ttt180 -105.68 103.3 12.78 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.027 -172.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -86.28 92.25 8.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.845 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.6 m -90.71 96.4 10.62 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.496 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.502 ' HG2' HG22 ' A' ' 93' ' ' ILE . 82.7 mt-30 -89.26 114.08 25.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.985 0.421 . . . . 0.0 110.879 -177.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -91.8 92.66 8.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -127.38 159.2 35.18 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.533 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.37 127.68 24.48 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.808 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.804 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 81.1 mtp -116.94 -156.55 0.63 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 114' ' ' MET . 34.1 mtmm 101.54 -14.79 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 115' ' ' LYS . 58.3 Cg_endo -72.13 87.29 0.89 Allowed 'Trans proline' 0 C--N 1.369 1.619 0 CA-C-N 122.725 2.009 . . . . 0.0 112.569 177.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 38.6 t70 60.25 66.25 0.98 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.59 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -141.97 131.07 12.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.04 -23.74 46.01 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.861 2.374 . . . . 0.0 112.147 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.4 m -99.11 136.72 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.361 0.6 . . . . 0.0 110.612 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.602 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 23.2 t70 -93.88 168.49 10.94 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.463 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.32 -37.67 62.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.0 86.24 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.535 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.602 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 99.1 m95 -62.86 -43.52 98.57 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.988 0.423 . . . . 0.0 110.529 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.804 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 98.2 mmm -70.92 -31.69 68.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.463 -177.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 86.4 m -58.5 -51.14 71.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 110.297 176.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.39 -42.59 83.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.892 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.01 -53.64 56.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.62 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.775 HG22 HD22 ' A' ' 7' ' ' ASN . 72.0 mt -61.69 -39.05 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.736 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.525 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 3.6 t-20 -57.26 -51.05 70.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.434 ' O ' ' HB3' ' A' ' 134' ' ' ARG . 46.7 mtm105 -74.82 -38.75 61.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.73 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.13 -36.03 82.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 110.444 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.6 t -66.86 -39.06 87.45 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 131' ' ' ARG . 38.2 ttt180 -54.37 -44.48 72.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.218 174.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 25.3 m -67.63 -52.5 37.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.357 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -65.16 -45.06 86.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.856 0.36 . . . . 0.0 111.878 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.497 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -73.39 -19.53 60.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.111 -176.459 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.56 -46.91 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 168.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.96 -45.41 82.86 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.159 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' A' ' 32' ' ' PHE . 81.0 mt -66.01 -43.55 92.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.247 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -56.96 -49.34 76.01 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.137 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.499 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 4.1 m-20 -56.32 -46.89 79.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.021 0.439 . . . . 0.0 110.454 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -71.06 -29.45 65.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.968 -176.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.439 HG22 HG23 ' A' ' 11' ' ' ILE . 21.0 mm -66.47 -44.24 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.049 0.452 . . . . 0.0 109.888 172.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.66 -38.13 86.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.337 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 98.4 mt-30 -63.13 -35.83 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.487 175.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.6 62.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.658 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.27 68.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.074 0.464 . . . . 0.0 110.838 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -71.75 -29.39 67.52 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 175.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.964 0.411 . . . . 0.0 110.111 177.467 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.08 110.43 3.25 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.866 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -91.32 78.26 5.77 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.538 HG21 HG21 ' A' ' 126' ' ' THR . 21.8 m -83.7 96.29 8.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.986 0.422 . . . . 0.0 110.932 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -105.84 94.97 5.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.275 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.654 ' OD1' ' HA ' ' A' ' 130' ' ' ASN . 0.8 OUTLIER -104.33 142.47 34.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.658 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.549 ' HB2' ' HG3' ' A' ' 107' ' ' ARG . 39.0 tt0 -130.98 148.46 52.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 -172.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.49 HG21 ' HB3' ' A' ' 137' ' ' MET . 13.5 tt -156.07 139.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.987 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.1 m -98.94 111.19 23.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.903 0.383 . . . . 0.0 110.919 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.6 mt -90.47 127.77 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.285 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.92 78.24 9.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.162 0.506 . . . . 0.0 110.758 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.64 152.02 10.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.705 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.443 ' O ' HG23 ' A' ' 18' ' ' VAL . 32.1 Cg_exo -58.63 133.01 51.52 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.66 2.24 . . . . 0.0 111.886 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 68.1 mtp -54.5 -30.93 54.97 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.612 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.44 -62.8 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.604 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 7.2 mp -61.18 -32.33 72.08 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.472 HG21 HG22 ' A' ' 144' ' ' ILE . 84.1 t -59.88 -55.25 25.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.705 0.288 . . . . 0.0 110.619 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -63.78 -39.16 93.58 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.294 0.569 . . . . 0.0 109.618 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.604 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 18.8 m -56.41 -46.49 80.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.906 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.1 mtp -76.44 -32.81 58.67 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.8 p -85.54 -11.55 53.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.654 0.264 . . . . 0.0 111.544 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.553 ' HA ' HH22 ' A' ' 69' ' ' ARG . 48.1 t-20 -62.18 -61.99 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -71.95 124.95 26.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.849 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.516 HD12 HG21 ' A' ' 40' ' ' VAL . 27.7 pt -76.65 -19.59 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.074 -176.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.61 -5.91 47.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.56 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -95.92 -14.17 23.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.402 . . . . 0.0 110.194 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.549 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 46.6 m0 -58.79 -46.1 99.58 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.653 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 19.6 Cg_endo -61.15 -13.33 27.44 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 122.189 1.926 . . . . 0.0 112.811 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.62 -21.77 61.28 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.532 176.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.995 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 7.9 mp -102.05 -42.79 5.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.4 106.63 18.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.082 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -62.58 -27.31 69.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.927 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -77.43 -11.95 59.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.776 -175.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -92.25 99.94 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.71 -30.19 59.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.624 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.519 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 66.1 m -152.57 142.82 22.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.785 177.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.423 HG21 ' HD3' ' A' ' 29' ' ' PRO . 61.8 t -127.46 101.57 7.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 172.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -93.81 134.31 36.29 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 0.0 111.203 -173.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.516 HG21 HD12 ' A' ' 25' ' ' ILE . 6.4 t -89.67 112.76 24.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.077 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' A' ' 51' ' ' ARG . 9.0 mp -85.78 -23.02 27.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.973 0.415 . . . . 0.0 110.407 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.47 158.88 10.56 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.079 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' HG2' HG22 ' A' ' 48' ' ' VAL . 57.8 mtp180 -138.54 110.59 7.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.977 0.418 . . . . 0.0 110.749 177.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.641 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 8.6 m-20 -93.94 65.76 3.54 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 63.46 -85.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.93 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.54 -17.91 29.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.335 0.588 . . . . 0.0 110.21 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.641 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 60.9 mttm -89.83 133.14 34.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.553 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.535 HG12 ' HB3' ' A' ' 69' ' ' ARG . 4.8 p -130.84 118.61 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.382 0.61 . . . . 0.0 110.382 173.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -98.71 115.86 29.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.565 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -127.06 158.3 37.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.019 0.437 . . . . 0.0 110.972 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HB2' HD13 ' A' ' 41' ' ' LEU . 43.8 ttp180 -125.72 120.05 29.62 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.698 ' O ' ' HA ' ' A' ' 64' ' ' SER . 82.2 mt -89.5 114.27 25.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.847 -177.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 97.3 m -100.22 110.98 23.24 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.667 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.401 ' HB3' ' H ' ' A' ' 55' ' ' HIS . 41.6 mtt -92.45 -163.5 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.22 0.533 . . . . 0.0 111.336 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 21.7 p-80 -60.46 148.03 81.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.458 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 55' ' ' HIS . 8.1 Cg_exo -73.61 127.78 12.02 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.647 2.231 . . . . 0.0 110.695 169.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -72.3 165.55 24.24 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.44 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.94 -30.97 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.571 0.348 . . . . 0.0 111.76 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -79.73 -4.76 53.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 110.968 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.01 17.89 52.29 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.489 -175.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -89.84 111.01 21.91 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.77 120.52 37.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -81.19 88.71 6.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.36 0.6 . . . . 0.0 110.081 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.698 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 9.4 t -125.65 124.85 42.06 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.71 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.514 ' HB2' ' HB3' ' A' ' 84' ' ' GLU . 12.9 p90 -134.53 147.95 50.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.025 0.44 . . . . 0.0 111.384 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.66 137.51 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.925 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.5 m -146.03 150.65 36.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.037 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -107.77 135.71 48.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.981 0.419 . . . . 0.0 110.55 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.553 HH22 ' HA ' ' A' ' 23' ' ' ASN . 33.6 ttt180 -124.83 130.18 51.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.916 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.4 t -111.31 121.31 63.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.246 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -96.63 106.11 18.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.808 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.545 ' HB3' ' O ' ' A' ' 77' ' ' THR . 0.6 OUTLIER -99.04 109.75 55.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.03 0.443 . . . . 0.0 110.982 177.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -87.12 -3.34 7.93 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.836 2.358 . . . . 0.0 112.561 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.1 t -84.35 -51.51 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.005 0.431 . . . . 0.0 110.399 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -100.05 3.88 44.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.251 0.548 . . . . 0.0 109.856 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.477 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 82.0 mtt180 60.79 36.27 19.25 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.478 175.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.545 ' O ' ' HB3' ' A' ' 72' ' ' ASP . 86.8 m -122.05 124.11 43.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.012 -175.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.578 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 44.6 t -98.75 129.83 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.523 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 27.5 mmt180 -105.56 98.88 8.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.31 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.7 101.45 9.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.868 0.366 . . . . 0.0 110.089 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -112.51 140.52 47.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.307 0.575 . . . . 0.0 111.029 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -84.72 112.84 20.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.29 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.3 t -72.83 -36.2 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.514 ' HB3' ' HB2' ' A' ' 65' ' ' TRP . 7.2 tp10 -99.73 101.79 13.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.385 175.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -101.03 -80.35 0.49 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -176.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.49 -102.73 2.04 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.274 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.62 -14.26 43.87 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.05 2.5 . . . . 0.0 112.145 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -111.83 165.12 12.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.636 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.821 ' HB2' ' HB2' ' A' ' 115' ' ' LYS . 10.4 tt0 -99.77 -56.09 2.48 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.93 0.395 . . . . 0.0 110.1 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -137.35 127.02 25.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.031 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 84.0 mtp -131.25 114.73 15.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.551 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -117.3 109.94 17.46 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.524 HG22 ' HG2' ' A' ' 110' ' ' GLN . 48.8 mt -92.23 111.82 24.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.972 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.562 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 41.4 t -98.25 111.35 27.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.768 -178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.578 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 11.7 m0 -92.54 96.04 9.98 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 174.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -96.83 113.13 24.66 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.836 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -90.4 117.56 29.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.93 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.521 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . . . -106.59 118.69 37.33 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.327 0.584 . . . . 0.0 111.092 -175.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.477 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 45.3 tt0 -63.76 113.36 3.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.962 176.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.9 m -130.78 157.93 41.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.21 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.29 -17.51 62.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.871 -176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -92.98 -22.98 18.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.915 0.388 . . . . 0.0 111.198 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.61 -169.27 32.86 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.047 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.7 m -80.52 108.33 14.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.87 0.366 . . . . 0.0 110.566 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' A' ' 98' ' ' ALA . 40.3 t -81.35 115.58 24.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.054 0.454 . . . . 0.0 110.182 177.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 46.6 ttp -103.57 112.24 25.07 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.549 ' HG3' ' HB2' ' A' ' 8' ' ' GLU . 23.8 ttm105 -112.23 114.05 26.62 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.117 -176.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -92.49 91.99 7.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.256 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.562 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 5.4 m -83.96 92.5 7.84 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.623 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.524 ' HG2' HG22 ' A' ' 93' ' ' ILE . 67.1 mt-30 -89.14 90.95 8.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -92.73 101.6 14.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.161 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.417 ' HE2' ' HG1' ' A' ' 5' ' ' THR . 46.5 p90 -121.99 148.91 44.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.395 0.616 . . . . 0.0 111.803 -175.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -120.13 133.68 55.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.208 173.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 47.6 mtp -95.07 -175.54 3.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.087 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.821 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 86.3 tttt -158.55 -55.13 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -173.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.785 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 12.1 Cg_exo -71.94 -149.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.365 2.044 . . . . 0.0 112.854 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -58.03 -38.18 75.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.806 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 50.41 77.28 0.47 Allowed Pre-proline 0 CA--C 1.534 0.349 0 O-C-N 123.817 0.698 . . . . 0.0 112.135 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.04 -32.08 54.15 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.434 2.089 . . . . 0.0 111.154 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.3 m -98.51 133.35 41.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.396 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.44 170.37 12.76 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.71 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -56.37 -41.18 75.78 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.26 98.62 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.404 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -69.99 -40.32 75.4 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.233 -0.587 . . . . 0.0 109.737 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.427 ' O ' HG13 ' A' ' 129' ' ' ILE . 82.4 mmm -61.94 -54.8 36.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.566 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.538 HG21 HG21 ' A' ' 5' ' ' THR . 47.7 m -56.05 -41.84 75.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.942 0.401 . . . . 0.0 111.323 -178.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.2 -39.23 68.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.449 . . . . 0.0 111.02 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -62.76 -48.06 80.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.112 0.482 . . . . 0.0 110.334 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 125' ' ' MET . 91.4 mt -62.44 -30.5 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.372 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.654 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 3.6 t-20 -58.66 -50.58 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.58 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -63.04 -40.62 98.27 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.955 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -61.88 -46.98 87.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.464 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.7 m -62.12 -42.35 99.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.677 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.0 ttp85 -53.36 -54.05 42.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.038 0.446 . . . . 0.0 110.158 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 29.1 m -66.69 -53.57 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.878 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -71.09 -44.3 65.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.49 ' HB3' HG21 ' A' ' 9' ' ' ILE . 19.8 mmt -74.14 -25.72 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.947 -174.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.95 85.54 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 171.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.26 -45.0 96.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.183 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.486 HG22 HD23 ' A' ' 31' ' ' LEU . 72.0 mt -62.35 -44.21 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.229 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 -57.39 -51.89 67.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.521 0.201 . . . . 0.0 110.773 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -38.48 88.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.995 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 2.2 tpm_? -60.23 -50.48 73.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.979 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.472 HG22 HG21 ' A' ' 18' ' ' VAL . 66.0 mt -68.75 -45.49 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.73 -43.46 94.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.967 0.413 . . . . 0.0 110.231 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -59.23 -54.76 43.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.877 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.92 81.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.484 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.3 -37.5 71.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.308 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -70.35 -45.11 56.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.755 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.681 0.277 . . . . 0.0 111.384 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.63 ' HA3' ' CE1' ' A' ' 112' ' ' PHE . . . -124.33 112.84 1.88 Allowed Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.064 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -109.12 101.02 10.11 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.767 0.318 . . . . 0.0 110.175 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 m -112.16 109.41 19.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -95.61 103.12 14.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.515 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.452 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 40.2 m-80 -95.03 96.55 9.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.928 0.394 . . . . 0.0 110.251 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -97.51 137.11 36.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.303 -174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 tt -142.53 137.7 28.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.978 0.418 . . . . 0.0 110.758 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 m -96.55 112.05 23.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.509 HG21 ' HG3' ' A' ' 141' ' ' ARG . 57.7 mt -102.12 132.65 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.12 36.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.026 0.441 . . . . 0.0 111.545 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.09 147.39 44.54 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.391 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.28 137.26 80.86 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.817 2.344 . . . . 0.0 112.059 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.417 ' HE3' ' HB3' ' A' ' 97' ' ' TYR . 44.3 mtp -50.98 -38.04 48.53 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.86 -60.72 3.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.603 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 24.8 tp -63.63 -33.66 76.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.833 0.288 . . . . 0.0 111.468 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.6 t -60.23 -54.22 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.897 0.379 . . . . 0.0 110.396 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -57.73 -44.01 85.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.506 0.67 . . . . 0.0 109.451 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.603 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 17.0 m -57.77 -45.77 85.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.431 -1.258 . . . . 0.0 112.392 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 91.8 mtp -78.68 -40.74 33.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.68 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 24.7 p -72.21 -25.18 61.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -88.24 -10.88 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.55 0.204 . . . . 0.0 111.55 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -81.5 77.51 8.36 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.512 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 26.5 pt -67.48 -15.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.204 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.46 -13.62 61.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.328 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -117.78 21.74 12.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.0 111.146 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.512 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 9.7 m0 -54.46 -42.87 96.72 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 175.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -59.22 -8.12 6.05 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.424 2.082 . . . . 0.0 113.446 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.67 -10.52 67.24 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.861 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -120.24 -46.66 2.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -93.59 150.89 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.041 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.7 m -100.73 -28.9 12.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.598 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -75.72 -41.84 52.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.204 -174.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -78.81 95.65 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.383 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.52 -37.89 24.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.392 -177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.526 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 56.4 m -129.56 110.05 11.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.239 0.542 . . . . 0.0 111.426 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 28' ' ' TRP . 60.5 t -105.2 98.89 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.91 105.09 15.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -172.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.42 HG23 HD13 ' A' ' 25' ' ' ILE . 27.3 t -68.33 126.38 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.94 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.78 -37.62 11.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.954 0.407 . . . . 0.0 110.744 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.87 157.46 29.5 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.484 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -128.92 91.15 3.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.803 0.335 . . . . 0.0 110.736 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 8.1 m-20 -82.38 167.43 18.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -52.17 -39.92 60.74 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.481 0.488 . . . . 0.0 112.079 -173.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -132.94 15.71 4.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.053 0.454 . . . . 0.0 110.746 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 13.4 mptt -132.42 93.61 3.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.451 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.717 HG11 ' HB3' ' A' ' 69' ' ' ARG . 4.1 p -92.03 102.75 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.687 0.756 . . . . 0.0 109.505 172.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.7 m -81.75 118.32 22.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.41 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' A' ' 69' ' ' ARG . 38.2 p90 -120.82 140.2 52.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.516 0.674 . . . . 0.0 110.96 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 51' ' ' ARG . 6.4 ttt180 -103.47 115.02 29.75 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.673 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 64' ' ' SER . 89.1 mt -87.95 113.17 23.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.19 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.526 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 18.2 m -108.86 120.59 42.95 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.74 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.7 mmt -95.03 161.46 14.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.705 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -61.17 134.67 93.17 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.224 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.486 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 78.1 Cg_exo -51.31 132.9 41.03 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.196 2.598 . . . . 0.0 112.602 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -81.92 -164.16 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.581 -176.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.44 -29.16 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.546 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.64 -19.46 61.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.275 0.56 . . . . 0.0 110.454 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.09 18.58 62.67 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.56 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 88.7 tttt -96.36 142.1 28.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.852 0.358 . . . . 0.0 110.245 -178.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.0 t -85.74 110.13 19.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.804 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -83.5 98.53 9.59 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.425 0.631 . . . . 0.0 110.771 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 15.4 m -118.98 124.32 46.73 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.613 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.495 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 13.2 p90 -128.6 142.95 50.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.037 0.446 . . . . 0.0 111.003 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.8 t -86.83 131.77 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.313 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -136.22 151.53 49.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.716 175.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -111.64 129.26 56.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.73 0.3 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.717 ' HB3' HG11 ' A' ' 48' ' ' VAL . 34.9 ttt85 -103.12 102.16 12.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.084 0.469 . . . . 0.0 110.102 176.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.93 97.92 7.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.746 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.416 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -91.65 96.36 10.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.096 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -96.46 107.36 35.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.539 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 7.7 Cg_exo -73.01 -21.2 21.0 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.909 2.406 . . . . 0.0 111.948 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.9 -45.16 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.255 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.69 12.07 29.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.918 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 56.98 34.2 24.55 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.984 0.421 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -124.14 118.1 26.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.248 -174.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.556 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 49.6 t -107.08 107.37 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 0.0 109.93 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -93.63 107.87 19.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.284 -175.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.496 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -97.97 91.74 5.46 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -94.1 123.59 37.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.669 HH21 HG22 ' A' ' 85' ' ' THR . 21.6 mtm180 -93.06 108.49 20.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.14 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.06 -39.65 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.805 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 38.1 mt-10 -108.07 115.1 29.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.494 176.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.669 HG22 HH21 ' A' ' 82' ' ' ARG . 5.6 m -122.72 5.97 9.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.19 0.519 . . . . 0.0 111.049 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.97 -119.94 8.37 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.012 -0.613 . . . . 0.0 113.101 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.51 -22.85 38.0 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.087 2.525 . . . . 0.0 112.001 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.644 ' HB2' HG23 ' A' ' 85' ' ' THR . 57.0 m-85 -86.04 128.27 34.83 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.781 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 22.4 tm0? -67.13 -43.16 83.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.679 -172.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 75.9 t80 -148.92 149.34 31.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.401 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 52.7 ttm -152.86 110.79 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.901 0.382 . . . . 0.0 110.377 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.487 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 39.0 t-20 -107.15 115.31 29.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.63 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.496 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 16.4 mt -97.93 92.35 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.041 0.448 . . . . 0.0 109.843 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.532 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 85.0 t -90.72 110.33 22.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.04 -177.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.68 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.3 m0 -87.96 96.24 10.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -97.25 121.07 38.72 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.088 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.417 ' HB3' ' HE3' ' A' ' 15' ' ' MET . 63.5 m-85 -101.08 118.93 37.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.496 -178.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 105' ' ' VAL . . . -106.31 113.65 27.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.176 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -72.59 124.86 26.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.11 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.3 m -124.6 157.26 35.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.35 -23.97 65.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 111.506 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -110.69 15.12 22.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.599 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.77 -169.37 28.6 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.01 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.4 m -110.77 119.92 40.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.601 0.238 . . . . 0.0 110.424 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.499 ' HB ' ' HB1' ' A' ' 98' ' ' ALA . 67.9 t -92.19 103.46 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 55.2 ttp -90.42 120.87 31.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -104.42 108.97 20.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.829 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -79.29 83.66 5.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.05 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.532 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 85.5 m -81.26 91.22 6.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.371 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -90.14 100.98 13.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.347 0.594 . . . . 0.0 109.462 176.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -101.76 92.74 4.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.093 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.63 ' CE1' ' HA3' ' A' ' 3' ' ' GLY . 35.8 p90 -111.57 178.39 4.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.724 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -153.66 113.88 3.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.464 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.472 ' HE1' HG23 ' A' ' 120' ' ' VAL . 38.2 mtp -92.95 144.13 25.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.958 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.781 ' HD2' ' HG3' ' A' ' 89' ' ' GLN . 93.2 mttt -147.98 -50.91 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.082 -177.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.613 ' HD3' ' HB2' ' A' ' 115' ' ' LYS . 87.7 Cg_exo -50.84 168.72 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 121.779 1.653 . . . . 0.0 112.477 169.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -87.33 34.5 0.69 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.757 -170.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.27 147.28 37.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.788 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.58 13.36 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.092 2.528 . . . . 0.0 113.883 -174.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.472 HG23 ' HE1' ' A' ' 114' ' ' MET . 14.1 m -134.58 150.58 30.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 0.0 109.867 177.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.67 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 24.4 m-20 -99.18 169.02 9.68 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.385 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.05 -33.23 67.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.12 83.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.355 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.67 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 33.2 m95 -63.89 -35.41 80.57 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.749 0.309 . . . . 0.0 110.53 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 70.0 mtp -66.26 -49.03 68.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.804 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 50.4 m -53.56 -50.1 66.26 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.472 0.482 . . . . 0.0 112.075 -174.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -73.29 -36.55 66.31 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.689 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -66.72 -45.32 79.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.064 0.459 . . . . 0.0 110.007 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.633 HG23 ' HG ' ' A' ' 133' ' ' SER . 63.3 mt -64.09 -38.99 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.56 177.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 50.9 t-20 -47.88 -58.1 4.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.103 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -66.53 -47.15 73.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.257 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -60.98 -52.09 66.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.435 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.633 ' HG ' HG23 ' A' ' 129' ' ' ILE . 57.9 m -69.72 -37.13 76.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.79 -174.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 130' ' ' ASN . 88.7 mtt-85 -60.4 -35.0 74.73 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.408 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 26.9 m -66.47 -42.4 87.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.229 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -70.76 -34.52 71.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 133' ' ' SER . 30.4 mmt -61.05 -43.05 99.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.21 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.97 93.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.451 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.64 -51.24 70.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.458 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.19 -42.56 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.839 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.509 ' HG3' HG21 ' A' ' 11' ' ' ILE . 75.7 ttt180 -61.66 -51.5 68.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.952 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -21.52 62.48 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -177.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -86.78 -52.6 5.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.167 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.9 mt -63.67 -45.74 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.589 0.233 . . . . 0.0 111.436 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.8 -33.08 75.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.03 0.443 . . . . 0.0 110.129 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -70.11 -45.7 66.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.114 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.85 83.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.573 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -72.28 -19.88 61.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.4 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -87.1 -23.47 40.94 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.076 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 120.468 0.175 . . . . 0.0 110.643 -179.476 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.6 116.26 4.62 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.383 -174.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -105.82 81.9 1.72 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -101.53 143.16 31.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -132.06 97.51 4.17 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -103.22 106.9 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.546 -173.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -98.5 122.24 41.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.501 HG23 ' HB3' ' A' ' 137' ' ' MET . 7.1 tp -120.94 126.49 75.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.207 0.527 . . . . 0.0 110.22 176.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.542 HG21 HG23 ' A' ' 105' ' ' VAL . 17.7 m -89.47 116.78 27.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.82 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.438 HG22 ' HG3' ' A' ' 141' ' ' ARG . 50.2 mt -111.83 125.85 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.67 -13.94 60.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.994 0.426 . . . . 0.0 111.284 -172.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.28 141.38 90.99 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.219 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' O ' HG21 ' A' ' 18' ' ' VAL . 19.0 Cg_endo -59.13 142.74 99.64 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.918 2.412 . . . . 0.0 112.029 177.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.603 ' HE2' ' HD3' ' A' ' 76' ' ' ARG . 81.1 mtp -54.65 -29.79 53.45 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.895 -174.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -50.61 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.715 0.634 . . . . 0.0 111.298 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.637 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 24.2 tp -66.04 -27.46 68.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.376 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.489 ' HA ' HD11 ' A' ' 144' ' ' ILE . 83.8 t -59.99 -60.99 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -58.19 -39.97 80.31 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 109.833 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.637 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 18.0 m -58.07 -42.81 86.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.324 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.492 ' HE3' HD21 ' A' ' 31' ' ' LEU . 92.8 mtp -91.14 -33.47 15.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.1 p -69.72 -31.21 69.09 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.463 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 38.8 m-80 -86.56 -15.87 38.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.561 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -79.89 94.38 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.543 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 19.2 pt -75.23 -16.22 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.464 -172.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -81.81 -1.52 47.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.145 0.497 . . . . 0.0 110.382 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -109.6 -3.19 17.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.753 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 20.4 m0 -54.83 -49.83 89.5 Favored Pre-proline 0 CA--C 1.532 0.268 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.78 -23.46 41.76 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.985 1.79 . . . . 0.0 113.153 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.88 -37.29 30.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.348 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.492 HD21 ' HE3' ' A' ' 21' ' ' MET . 8.3 mp -92.33 -46.75 7.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.872 0.368 . . . . 0.0 110.557 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -101.83 102.79 13.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.735 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.7 m -90.91 90.52 7.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.715 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.744 ' HG2' ' HE3' ' A' ' 54' ' ' MET . 25.2 tt0 -169.27 -49.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.367 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.474 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 48.5 m-85 -72.57 149.69 43.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.077 177.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.33 -75.15 0.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.418 ' OG ' ' HB ' ' A' ' 53' ' ' THR . 4.6 p -114.89 122.32 45.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.315 0.579 . . . . 0.0 111.577 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.508 HG13 ' HB ' ' A' ' 25' ' ' ILE . 66.7 t -98.81 104.51 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.302 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -102.89 127.89 49.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.3 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.444 HG23 HD11 ' A' ' 25' ' ' ILE . 21.9 t -91.44 106.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -79.72 -23.1 42.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.262 0.553 . . . . 0.0 110.085 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.31 172.65 27.84 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -152.03 153.12 33.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.118 0.459 . . . . 0.0 110.594 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -123.72 74.46 1.27 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.594 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.4 t0 57.2 -80.66 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.495 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.74 -29.9 25.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 0.0 110.726 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG2' HG22 ' A' ' 70' ' ' VAL . 94.0 mttt -88.34 141.04 28.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.988 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.4 p -130.3 116.02 34.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.402 0.62 . . . . 0.0 109.846 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -97.0 97.88 9.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.16 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -115.59 151.22 35.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.105 0.478 . . . . 0.0 110.756 -178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.544 ' HD3' ' HB3' ' A' ' 64' ' ' SER . 32.0 ttm180 -106.87 120.09 41.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.6 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.5 mt -83.82 94.67 8.25 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.418 ' HB ' ' OG ' ' A' ' 37' ' ' SER . 26.5 m -87.33 102.44 14.52 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.552 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.744 ' HE3' ' HG2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -71.12 167.99 18.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.328 -176.139 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -72.62 147.97 89.84 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -43.99 129.73 7.83 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.16 2.573 . . . . 0.0 113.082 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.13 163.02 28.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.162 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.1 -31.68 61.41 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 123.132 0.27 . . . . 0.0 111.309 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.78 -34.53 78.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.411 0.624 . . . . 0.0 110.701 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.23 -13.29 12.49 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.741 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -80.58 164.97 22.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.444 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.57 125.65 68.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.222 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -89.82 111.73 22.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.205 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.544 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 18.0 m -129.4 110.61 12.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.395 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.516 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 48.0 p90 -125.95 140.77 52.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 111.518 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.6 t -85.76 133.16 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.042 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.2 m -126.16 128.48 47.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.14 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.01 120.0 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.374 -0.376 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.463 ' NH1' ' HA ' ' A' ' 23' ' ' ASN . 50.0 ttp180 -119.8 133.9 55.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.712 -177.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.427 HG22 ' HG2' ' A' ' 47' ' ' LYS . 41.7 t -119.25 126.24 75.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.25 114.25 26.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.132 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -115.6 110.26 44.87 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.23 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.8 -10.86 20.05 Favored 'Trans proline' 0 CA--C 1.527 0.145 0 C-N-CA 122.84 2.36 . . . . 0.0 113.452 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.2 t -76.56 -55.19 11.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.069 0.462 . . . . 0.0 110.058 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.0 p -82.07 -8.97 59.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.009 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.603 ' HD3' ' HE2' ' A' ' 15' ' ' MET . 97.5 mtt180 58.94 38.48 24.34 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.385 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.1 m -126.7 128.24 46.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.487 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 57.9 t -115.77 112.34 39.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.305 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -96.59 123.74 40.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.421 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.47 100.87 8.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.858 0.361 . . . . 0.0 110.283 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -95.58 124.83 39.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.245 0.545 . . . . 0.0 110.212 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -100.55 111.48 23.73 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.5 t -72.64 -51.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.035 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.516 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 36.6 mt-10 -92.09 120.97 33.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.276 177.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 2.9 m -141.17 2.99 1.74 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.022 0.439 . . . . 0.0 111.285 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.68 -116.29 4.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.874 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.68 -10.72 29.71 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.97 2.446 . . . . 0.0 112.666 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.517 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 62.7 m-85 -89.95 140.69 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.842 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -73.13 -44.31 60.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.185 0.517 . . . . 0.0 109.828 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -161.75 149.17 14.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.925 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 51.3 ttm -144.71 112.81 6.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.964 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -105.92 117.59 34.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.004 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.9 108.46 25.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.533 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 41.9 t -100.9 119.2 48.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.784 0.326 . . . . 0.0 111.263 -177.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.512 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 34.9 m0 -97.67 98.26 9.72 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -98.02 119.52 36.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.94 0.4 . . . . 0.0 110.174 177.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -95.12 116.98 29.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.88 114.04 27.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.033 0.444 . . . . 0.0 111.163 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.4 111.25 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.252 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.0 m -130.9 154.8 47.72 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.61 -16.21 58.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 110.527 -177.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -86.67 -6.79 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.281 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.84 -169.44 23.23 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.103 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.7 m -84.98 107.58 17.18 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.942 0.401 . . . . 0.0 110.025 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.542 HG23 HG21 ' A' ' 10' ' ' THR . 69.3 t -88.71 103.05 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 35.6 ttp -94.33 122.04 36.47 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.188 0.518 . . . . 0.0 110.011 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -103.78 109.77 21.61 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.826 -175.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -88.38 90.41 8.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.979 0.419 . . . . 0.0 110.555 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.533 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 7.9 m -83.98 102.52 12.51 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.518 175.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -104.92 108.99 20.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.043 0.449 . . . . 0.0 110.254 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -110.2 108.09 18.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.459 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -135.33 162.74 31.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.897 0.38 . . . . 0.0 111.008 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -143.58 137.6 28.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.769 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.476 ' HE3' ' HB2' ' A' ' 118' ' ' ALA . 21.4 ptm -147.77 157.51 43.57 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.313 0.383 . . . . 0.0 110.246 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.409 ' H ' ' CD ' ' A' ' 116' ' ' PRO . 53.7 mtpt -149.62 -49.9 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.409 ' CD ' ' H ' ' A' ' 115' ' ' LYS . 71.4 Cg_exo -51.73 107.71 0.2 Allowed 'Trans proline' 0 C--N 1.365 1.432 0 C-N-CA 122.381 2.054 . . . . 0.0 113.561 -176.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.47 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 65.9 m-20 57.67 30.94 19.65 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.733 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.476 ' HB2' ' HE3' ' A' ' 114' ' ' MET . . . -91.93 107.42 22.59 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.379 176.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.47 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 41.9 Cg_endo -92.52 17.05 1.29 Allowed 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 123.123 2.549 . . . . 0.0 111.81 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.491 HG23 ' SD ' ' A' ' 125' ' ' MET . 28.3 m -96.54 130.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.113 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -93.59 66.28 3.81 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.6 t70 61.68 -79.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.1 175.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.94 -13.41 62.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.947 -172.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -61.38 -45.53 93.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.277 0.56 . . . . 0.0 109.584 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.491 ' SD ' HG23 ' A' ' 120' ' ' VAL . 80.5 mtp -79.58 -35.71 39.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.366 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.5 m -57.14 -41.33 78.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.5 -43.43 63.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 109.884 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -59.3 -41.48 89.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.769 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 125' ' ' MET . 61.5 mt -60.74 -46.72 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.713 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -53.54 -45.53 69.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -66.72 -60.21 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.9 -48.64 80.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.935 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' ' 137' ' ' MET . 60.6 m -66.31 -38.61 88.1 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -59.82 -42.2 92.99 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.373 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.7 m -68.15 -41.9 80.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.966 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 140' ' ' ILE . 7.5 tp-100 -68.14 -43.45 78.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.804 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' ' 133' ' ' SER . 80.5 mmm -67.7 -33.82 75.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.339 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.99 93.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.31 -50.17 74.07 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.114 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.424 HD12 ' SD ' ' A' ' 137' ' ' MET . 68.3 mt -58.75 -47.44 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.44 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.473 ' HA ' HG21 ' A' ' 144' ' ' ILE . 49.1 ttt180 -57.05 -51.0 71.03 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.42 -29.66 64.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.986 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -82.26 -50.49 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.7 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.489 HD11 ' HA ' ' A' ' 18' ' ' VAL . 16.5 tt -71.69 -33.77 49.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 111.495 -175.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -73.03 -33.63 65.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . 0.49 ' O ' ' HG3' ' A' ' 150' ' ' GLU . 39.1 tt0 -62.13 -48.72 78.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.191 171.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.63 73.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.244 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.16 94.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.704 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -71.57 -20.78 78.67 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.167 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 146' ' ' GLN . 47.2 mt-10 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.038 0.447 . . . . 0.0 110.207 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.922 0.391 . . . . 0.0 110.126 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.15 107.12 3.29 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.974 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -92.15 92.15 8.1 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -113.88 136.04 53.31 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -168.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.84 102.64 9.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.826 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.595 ' ND2' ' HB2' ' A' ' 133' ' ' SER . 14.1 t-20 -96.2 120.61 36.81 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.471 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 17.5 mt-10 -118.34 149.77 40.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.606 -168.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.442 HG22 ' HE3' ' A' ' 137' ' ' MET . 19.2 tt -154.14 135.45 5.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.788 169.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 27.2 m -86.2 122.15 29.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.585 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 mt -108.01 123.33 63.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.179 0.514 . . . . 0.0 110.596 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.14 64.68 8.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.38 0.609 . . . . 0.0 110.301 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.9 149.51 36.15 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.986 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.12 146.86 95.26 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.587 2.191 . . . . 0.0 111.814 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.453 ' HE3' ' HD3' ' A' ' 76' ' ' ARG . 88.7 mtp -62.12 -26.11 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.299 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -55.49 -68.75 0.17 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.242 0.339 . . . . 0.0 110.471 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.444 HD12 ' HB1' ' A' ' 147' ' ' ALA . 2.4 tm? -51.55 -43.8 62.49 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.154 0.581 . . . . 0.0 111.282 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.54 -54.82 27.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 120.832 0.348 . . . . 0.0 111.426 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -61.35 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.527 0.68 . . . . 0.0 109.667 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -59.01 -42.38 89.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.614 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.618 ' HG2' HG12 ' A' ' 144' ' ' ILE . 8.2 tpt -63.91 -37.73 88.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.907 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.7 p -84.96 -17.48 37.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.839 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.432 ' ND2' HH22 ' A' ' 69' ' ' ARG . 10.9 m-80 -73.11 -43.54 61.56 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.896 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.926 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 76.5 m-20 -77.53 82.86 3.95 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 173.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.507 HD13 HG22 ' A' ' 40' ' ' VAL . 19.2 pt -64.75 -11.88 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.14 -175.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -82.66 4.31 25.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.726 0.298 . . . . 0.0 111.044 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.926 ' HE2' ' HB2' ' A' ' 24' ' ' ASP . 50.1 mttm -85.22 -21.6 29.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.202 0.525 . . . . 0.0 109.64 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.513 ' HB2' HG22 ' A' ' 38' ' ' VAL . 49.7 m0 -56.97 -44.58 99.84 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.783 -176.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.95 -25.4 69.84 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.876 1.717 . . . . 0.0 112.568 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.71 -38.11 21.19 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.872 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.593 ' HG ' ' HG3' ' A' ' 143' ' ' ARG . 11.0 mp -79.9 -56.33 4.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.802 0.334 . . . . 0.0 110.785 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -76.23 168.87 19.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.732 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.1 m -115.54 -39.35 3.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.4 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.55 -31.39 68.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.595 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -76.69 122.4 24.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.84 -29.34 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.481 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -163.34 143.31 8.78 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.978 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 28' ' ' TRP . 99.3 t -109.88 92.0 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.13 113.87 25.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.082 -169.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.507 HG22 HD13 ' A' ' 25' ' ' ILE . 34.4 t -71.72 119.6 18.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.251 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.41 HD13 ' HB2' ' A' ' 51' ' ' ARG . 91.4 mt -90.1 -24.02 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.003 0.43 . . . . 0.0 110.524 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.96 169.48 31.51 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.014 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -140.96 150.25 42.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.917 0.389 . . . . 0.0 110.789 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -143.15 56.69 1.39 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.354 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t70 59.96 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.201 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -68.93 -29.63 67.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.085 0.469 . . . . 0.0 110.332 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -103.48 137.93 40.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.268 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 69' ' ' ARG . 5.8 p -133.75 109.43 13.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.554 0.692 . . . . 0.0 109.355 167.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 m -91.83 122.87 34.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.404 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -129.5 149.4 51.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.28 0.562 . . . . 0.0 111.12 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HB2' HD13 ' A' ' 41' ' ' LEU . 41.6 ttt180 -101.33 118.77 37.65 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.827 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 64' ' ' SER . 22.7 mt -86.7 100.86 12.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.227 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 m -99.15 114.51 27.3 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.735 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.4 mtp -97.07 -177.51 3.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.164 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -77.28 147.22 75.76 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 62' ' ' VAL . 17.5 Cg_endo -58.16 138.64 86.99 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.6 2.2 . . . . 0.0 111.766 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -76.21 -175.21 3.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.58 -29.84 70.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.662 0.267 . . . . 0.0 111.711 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -78.35 -25.33 46.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.994 0.426 . . . . 0.0 110.454 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.98 -6.26 13.39 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.779 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -72.67 124.41 25.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.832 0.349 . . . . 0.0 110.771 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 41.1 t -87.77 103.96 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 177.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -71.77 128.29 35.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.429 0.633 . . . . 0.0 111.621 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 24.0 m -146.06 142.74 28.87 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.999 178.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.2 p90 -147.59 162.87 38.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.925 0.393 . . . . 0.0 110.949 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -98.75 127.91 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.696 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -132.46 154.63 49.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.395 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -120.1 124.96 47.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.202 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.582 ' HB3' HG11 ' A' ' 48' ' ' VAL . 51.2 ttt-85 -102.22 120.14 39.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.005 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.0 t -110.82 130.04 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.06 112.14 24.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.738 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -107.73 99.4 29.45 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.746 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.3 -19.38 19.75 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.147 2.565 . . . . 0.0 112.699 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.22 -44.98 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.221 0.534 . . . . 0.0 110.094 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m -89.09 -5.49 57.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.419 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.453 ' HD3' ' HE3' ' A' ' 15' ' ' MET . 88.9 mtt180 58.9 46.4 13.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.773 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.418 ' CG2' HG13 ' A' ' 94' ' ' VAL . 90.7 m -131.38 131.26 43.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.626 -173.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 76.2 t -102.62 102.42 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 169.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 79' ' ' ARG . 27.3 ttp85 -92.13 112.26 24.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.545 -176.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.29 103.43 12.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.43 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -101.21 141.5 33.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.535 ' HD2' ' SD ' ' A' ' 91' ' ' MET . 12.2 ttt-85 -83.8 107.04 15.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.31 -44.51 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.266 0.555 . . . . 0.0 110.523 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -100.41 141.24 33.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 65.9 p -96.81 -168.88 1.78 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.969 0.414 . . . . 0.0 111.073 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -177.95 -113.22 0.35 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.71 -18.1 42.31 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.599 2.2 . . . . 0.0 110.829 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -105.31 147.22 28.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.807 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -88.26 -35.47 17.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.824 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 112' ' ' PHE . 89.3 t80 -148.59 126.56 11.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.67 -175.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.535 ' SD ' ' HD2' ' A' ' 82' ' ' ARG . 79.3 mtp -133.48 105.77 7.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -122.21 101.97 7.85 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.527 HG12 ' HG3' ' A' ' 110' ' ' GLN . 15.0 mt -94.95 104.87 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.236 0.541 . . . . 0.0 109.964 -177.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 95.1 t -93.95 103.67 14.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.887 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.63 ' HE3' ' HH ' ' A' ' 97' ' ' TYR . 12.7 m0 -86.97 97.56 10.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.906 178.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.451 ' HG3' HG11 ' A' ' 94' ' ' VAL . 43.9 mt-10 -95.7 136.59 35.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.824 0.345 . . . . 0.0 110.763 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.63 ' HH ' ' HE3' ' A' ' 95' ' ' TRP . 63.8 m-85 -114.53 115.58 27.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.482 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.17 139.33 40.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.397 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.83 99.56 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.598 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 m -113.32 156.77 22.79 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.757 0.313 . . . . 0.0 110.2 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.85 6.81 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.987 0.422 . . . . 0.0 111.632 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -114.0 -2.52 13.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.939 176.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.6 -169.28 20.82 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.853 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 m -84.47 106.56 16.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 94.1 t -83.76 116.57 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.882 0.372 . . . . 0.0 110.341 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.476 ' HE2' ' HE2' ' A' ' 137' ' ' MET . 51.5 ttp -97.05 122.19 39.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.704 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.471 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 17.8 mtm180 -115.1 117.69 31.26 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.084 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -86.81 88.49 7.69 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.559 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 76.6 m -81.52 88.06 6.2 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.332 176.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.538 ' HG2' ' HD1' ' A' ' 112' ' ' PHE . 53.1 tt0 -92.07 102.29 14.83 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.674 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -89.74 94.27 9.77 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.538 ' HD1' ' HG2' ' A' ' 110' ' ' GLN . 52.3 p90 -116.38 121.86 43.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.781 0.801 . . . . 0.0 111.443 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -97.97 125.25 42.82 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.858 174.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.441 ' HE2' HG23 ' A' ' 120' ' ' VAL . 86.7 mmm -83.93 148.63 26.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.515 -177.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.435 ' HB3' ' OD2' ' A' ' 117' ' ' ASP . 3.5 mmmp? -74.78 131.95 78.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.75 -5.01 1.02 Allowed 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 123.601 2.868 . . . . 0.0 113.159 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.435 ' OD2' ' HB3' ' A' ' 115' ' ' LYS . 8.2 m-20 -70.7 -28.43 64.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.118 175.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.454 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -95.57 139.9 22.13 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.132 -176.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 3.2 Cg_endo -87.01 21.7 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.604 2.869 . . . . 0.0 113.033 -177.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.441 HG23 ' HE2' ' A' ' 114' ' ' MET . 23.0 m -92.3 121.91 43.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.256 0.551 . . . . 0.0 110.033 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -100.85 76.95 1.82 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.478 -169.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 60.35 -79.17 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 O-C-N 124.046 0.841 . . . . 0.0 112.017 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.426 ' HA ' ' HB ' ' A' ' 126' ' ' THR . . . -59.03 -23.97 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.374 -173.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -56.15 -58.47 7.78 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.374 0.607 . . . . 0.0 109.586 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.631 ' O ' HG12 ' A' ' 129' ' ' ILE . 96.4 mmm -69.52 -42.38 74.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.394 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.426 ' HB ' ' HA ' ' A' ' 123' ' ' ALA . 94.1 m -55.84 -42.97 76.56 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.08 -35.63 74.33 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.584 -0.446 . . . . 0.0 109.958 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -62.2 -37.24 84.54 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.288 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 125' ' ' MET . 46.3 mm -54.35 -53.82 26.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -52.12 -56.47 14.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.01 -62.1 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.937 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -63.2 -56.0 20.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.648 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.595 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 16.6 m -62.53 -49.57 74.79 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.648 -174.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -64.95 -33.44 76.03 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.386 -172.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.7 m -61.26 -47.82 84.29 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.359 0.6 . . . . 0.0 110.152 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.411 ' O ' HG13 ' A' ' 140' ' ' ILE . 98.0 mt-30 -69.06 -36.15 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.964 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.511 ' HG3' ' O ' ' A' ' 133' ' ' SER . 90.5 mtp -66.79 -33.22 75.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.401 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . . . -61.7 -41.76 98.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.9 tt -63.65 -40.48 96.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.064 175.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 136' ' ' GLN . 83.8 mt -66.63 -41.71 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.804 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -58.95 -41.57 87.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.984 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.96 -47.48 84.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.569 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.593 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 18.9 mmt180 -62.41 -40.71 97.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.695 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.618 HG12 ' HG2' ' A' ' 21' ' ' MET . 37.6 mt -67.13 -41.66 87.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.544 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.11 -33.45 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 110.202 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -58.86 -54.46 46.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.065 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.444 ' HB1' HD12 ' A' ' 17' ' ' LEU . . . -66.37 -33.09 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.387 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.57 -34.13 69.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.991 0.424 . . . . 0.0 110.793 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -66.22 -24.63 72.07 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.527 173.78 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.27 176.53 19.3 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.89 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.632 ' HB3' ' HA ' ' A' ' 111' ' ' ASP . 2.0 p-80 -151.28 133.8 15.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.045 0.45 . . . . 0.0 111.063 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.439 ' OG1' ' HA ' ' A' ' 126' ' ' THR . 7.2 m -106.03 119.59 39.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.376 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.19 98.52 10.52 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -101.7 96.75 7.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.574 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 0.7 OUTLIER -104.45 151.21 23.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.852 0.358 . . . . 0.0 111.226 -176.12 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.517 HG21 ' HB3' ' A' ' 137' ' ' MET . 13.5 tt -151.65 137.19 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.711 173.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.2 m -85.18 116.82 23.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.908 0.385 . . . . 0.0 110.768 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.6 mt -105.26 130.51 56.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.4 59.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.006 0.431 . . . . 0.0 111.659 -173.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.48 141.64 85.67 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.514 ' HB2' HD12 ' A' ' 17' ' ' LEU . 46.6 Cg_exo -57.23 149.27 65.18 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.945 2.43 . . . . 0.0 112.399 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mtp -59.49 -41.81 90.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.535 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 1.6 pm0 -69.44 -30.95 68.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.033 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.514 HD12 ' HB2' ' A' ' 14' ' ' PRO . 11.2 mp -73.65 -38.86 64.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.46 . . . . 0.0 109.798 176.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.439 ' HA ' HD12 ' A' ' 144' ' ' ILE . 70.7 t -63.69 -40.69 89.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.895 173.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.412 ' HD1' HD22 ' A' ' 23' ' ' ASN . 17.8 t-105 -64.44 -50.94 65.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.929 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 17' ' ' LEU . 15.3 t -64.64 -31.25 72.39 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.708 0.29 . . . . 0.0 111.053 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.2 mmm -72.11 -37.22 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.663 0.268 . . . . 0.0 111.218 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -82.36 -15.77 51.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.588 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.412 HD22 ' HD1' ' A' ' 19' ' ' TRP . 97.8 m-20 -74.45 -34.39 63.17 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 110.55 176.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -87.56 84.23 7.15 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.53 HD12 HG23 ' A' ' 40' ' ' VAL . 32.5 pt -71.33 -8.98 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.587 -171.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -73.29 -6.65 47.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.764 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -97.94 -10.72 24.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.472 ' HB2' HG22 ' A' ' 38' ' ' VAL . 37.2 m0 -55.39 -46.82 99.64 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 47.5 Cg_exo -57.83 -19.78 40.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.281 1.988 . . . . 0.0 113.099 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.83 -18.83 57.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.303 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' HG ' ' CB ' ' A' ' 143' ' ' ARG . 10.1 mp -104.58 -53.8 2.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.085 0.469 . . . . 0.0 110.357 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 34' ' ' GLU . 6.0 t80 -93.47 99.4 11.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.6 m -68.51 -2.66 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -171.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.432 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 7.7 mm-40 -84.14 -19.82 33.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.987 0.422 . . . . 0.0 110.85 178.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -87.49 132.92 33.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.221 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.14 -49.48 6.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.9 p -148.43 115.84 6.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.877 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.496 HG13 ' HB ' ' A' ' 25' ' ' ILE . 91.3 t -90.22 104.53 15.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 173.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -108.55 129.45 55.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.203 -168.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.53 HG23 HD12 ' A' ' 25' ' ' ILE . 38.1 t -76.97 118.52 23.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.857 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.6 tp -84.49 -39.08 19.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.0 156.27 15.44 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.638 ' HB3' HG23 ' A' ' 48' ' ' VAL . 20.3 ptt180 -151.0 141.17 22.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.773 0.787 . . . . 0.0 112.12 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -117.46 58.07 0.8 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.941 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 61.82 -83.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.925 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.98 -31.14 58.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.323 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -108.97 108.67 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.713 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.638 HG23 ' HB3' ' A' ' 43' ' ' ARG . 4.2 p -125.92 122.3 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 111.699 -175.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 m -95.37 116.64 29.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.517 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -121.88 143.33 49.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.607 0.718 . . . . 0.0 111.803 -174.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -97.49 113.42 25.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.745 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.486 ' O ' ' HA ' ' A' ' 64' ' ' SER . 55.2 mt -90.98 99.0 12.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.513 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.0 m -91.78 109.0 20.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.513 174.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.8 mmm -81.65 172.92 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.427 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -67.24 133.64 93.37 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 175.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.48 119.23 4.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.998 2.466 . . . . 0.0 111.885 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -75.45 168.09 20.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.142 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.8 -20.1 65.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.963 0.411 . . . . 0.0 111.027 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.29 -23.97 64.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.524 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.84 -26.31 24.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.946 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -70.73 125.38 26.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.993 0.425 . . . . 0.0 110.22 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.77 113.16 19.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.635 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -78.58 109.35 12.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.115 0.484 . . . . 0.0 110.51 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 22.8 t -135.53 123.18 22.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.545 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -131.28 155.25 47.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.114 0.483 . . . . 0.0 111.177 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -94.33 127.48 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.775 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -133.19 162.16 32.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -131.05 132.51 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.165 0.507 . . . . 0.0 110.999 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -108.85 112.7 25.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.364 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.47 116.46 38.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.34 130.16 56.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.818 0.342 . . . . 0.0 111.702 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -103.12 101.56 22.64 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.49 -34.22 76.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.746 2.298 . . . . 0.0 112.315 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.1 t -75.39 -51.65 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.85 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 m -73.23 -19.88 60.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.053 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 61.74 48.7 5.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.634 0.73 . . . . 0.0 109.928 -177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -137.75 139.33 40.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.886 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.559 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 45.8 t -123.42 136.12 61.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.906 0.384 . . . . 0.0 110.969 -178.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -117.14 107.17 14.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.52 94.35 5.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.18 0.514 . . . . 0.0 110.153 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -100.19 137.21 38.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.445 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -84.85 112.54 20.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.825 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.7 t -56.81 -42.18 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.937 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -107.19 115.29 29.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.487 174.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 91' ' ' MET . 10.3 p -83.85 -41.1 17.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.928 -175.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.409 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 84.76 -118.39 4.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.074 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.409 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 6.7 Cg_exo -74.25 -7.82 20.17 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.166 2.578 . . . . 0.0 112.396 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -93.44 162.99 13.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -95.84 -36.56 11.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -146.34 139.1 25.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.964 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.483 ' HB2' HG23 ' A' ' 85' ' ' THR . 70.7 mmm -140.23 104.1 4.74 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.694 0.283 . . . . 0.0 111.061 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -133.12 109.74 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.239 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 110' ' ' GLN . 16.4 mt -101.44 104.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.927 0.394 . . . . 0.0 110.18 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.1 t -89.72 115.05 28.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.673 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.559 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 25.4 m0 -95.63 94.13 7.55 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 46.1 mt-10 -88.77 116.11 26.8 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.956 0.407 . . . . 0.0 110.095 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -93.55 118.9 31.94 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' A' ' 105' ' ' VAL . . . -105.61 117.61 34.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.127 0.489 . . . . 0.0 111.03 -173.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.66 97.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.46 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.0 m -115.81 153.78 30.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.863 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.94 -21.6 64.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.81 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -91.79 -6.02 52.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.01 -169.13 24.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.32 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -89.4 107.97 19.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.658 0.266 . . . . 0.0 110.565 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.518 ' HB ' ' HB1' ' A' ' 98' ' ' ALA . 86.0 t -82.84 107.61 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 53.4 ttp -90.51 117.0 28.86 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.927 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.574 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 37.0 mtp85 -107.49 110.96 23.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.031 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.445 ' CD2' ' HE1' ' A' ' 137' ' ' MET . 10.7 m0 -97.78 92.14 5.71 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.0 m -95.7 100.51 12.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.138 0.494 . . . . 0.0 110.187 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.56 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 51.7 tt0 -89.98 106.1 18.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.331 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.632 ' HA ' ' HB3' ' A' ' 4' ' ' HIS . 20.2 t70 -93.12 114.31 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.628 ' HE2' ' HA ' ' A' ' 122' ' ' ASP . 37.8 p90 -133.5 135.42 44.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.267 0.556 . . . . 0.0 111.065 -174.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -105.43 125.52 51.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.91 176.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.429 ' HE2' HG22 ' A' ' 120' ' ' VAL . 62.0 mtp -127.65 171.79 11.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.109 178.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.651 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 51.4 tttm 176.77 -45.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.734 -176.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 1.7 Cg_endo -43.88 171.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.365 1.438 0 C-N-CA 123.327 2.685 . . . . 0.0 114.049 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -70.93 17.6 0.07 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.367 -1.288 . . . . 0.0 113.181 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -65.37 128.16 93.55 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 26.9 Cg_exo -63.02 -16.5 54.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.055 2.504 . . . . 0.0 113.279 -175.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.604 HG12 ' HD1' ' A' ' 124' ' ' TRP . 16.1 m -91.69 126.28 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.222 0.534 . . . . 0.0 110.472 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.35 168.24 12.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.628 ' HA ' ' HE2' ' A' ' 112' ' ' PHE . 4.9 p-10 -59.02 -34.86 72.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.932 0.396 . . . . 0.0 110.088 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.41 80.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.604 ' HD1' HG12 ' A' ' 120' ' ' VAL . 19.8 t-105 -69.78 -39.57 76.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.749 0.309 . . . . 0.0 110.502 -176.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.517 ' O ' HG13 ' A' ' 129' ' ' ILE . 35.2 mtp -69.05 -27.33 65.55 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.82 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.439 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 84.5 m -60.72 -44.66 96.34 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.33 -39.52 94.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.73 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -61.58 -44.79 96.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.721 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 125' ' ' MET . 79.7 mt -62.94 -40.46 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.632 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -52.75 -62.01 1.92 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -58.56 -67.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.316 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -66.07 -52.57 47.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.007 -170.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.682 ' O ' ' HG2' ' A' ' 137' ' ' MET . 24.2 m -62.93 -40.62 98.18 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.605 -174.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -68.12 -32.87 73.47 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.548 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 62.1 m -65.75 -40.59 92.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 140' ' ' ILE . 83.4 mm-40 -63.87 -37.6 87.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.499 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.682 ' HG2' ' O ' ' A' ' 133' ' ' SER . 18.7 mmt -61.26 -39.21 89.51 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.754 178.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.95 81.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.061 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.1 tp -71.64 -46.64 58.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.785 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 144' ' ' ILE . 75.2 mt -61.63 -49.56 83.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.64 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -57.54 -45.11 85.46 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -53.12 -38.25 62.49 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.589 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.495 ' CB ' ' HG ' ' A' ' 31' ' ' LEU . 6.7 mmp_? -86.32 -51.03 6.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.802 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 140' ' ' ILE . 15.8 tt -69.43 -37.09 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -171.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -73.23 -29.46 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.159 0.504 . . . . 0.0 109.898 -177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -70.44 -50.84 34.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.996 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.71 97.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.578 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -82.68 -6.95 59.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.927 0.394 . . . . 0.0 111.267 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -91.43 -46.89 3.65 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 173.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.533 177.003 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.975 0.416 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.54 152.37 16.92 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -121.91 111.29 16.9 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -105.58 111.55 24.29 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -94.67 87.73 5.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.4 . . . . 0.0 110.899 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -82.93 93.38 7.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.066 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 40.7 mt-10 -104.87 131.7 52.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.426 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.479 HD11 ' HD2' ' A' ' 141' ' ' ARG . 17.2 tt -140.22 132.89 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 0.0 110.523 176.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 m -85.78 107.63 17.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.563 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.0 mt -90.0 133.95 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.53 17.75 1.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.839 0.352 . . . . 0.0 111.895 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.52 149.86 39.37 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HB2' HD13 ' A' ' 17' ' ' LEU . 39.4 Cg_exo -57.27 140.53 93.19 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.846 2.364 . . . . 0.0 112.372 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 73.9 mtp -53.96 -39.0 65.56 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.519 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -59.97 -42.85 95.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.361 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.611 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.4 mp -75.91 -36.03 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 -178.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.73 -47.74 88.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.281 173.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.467 ' O ' ' HB3' ' A' ' 23' ' ' ASN . 11.2 t-105 -63.94 -54.13 39.44 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.611 HG22 ' HA ' ' A' ' 17' ' ' LEU . 11.0 t -59.23 -33.76 71.39 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -174.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.8 mmm -76.52 -43.24 40.17 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.461 0.172 . . . . 0.0 111.44 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.2 p -77.97 -18.12 56.37 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.338 0.59 . . . . 0.0 110.678 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.494 ' HA ' HH22 ' A' ' 69' ' ' ARG . 0.0 OUTLIER -72.8 -33.8 66.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.525 174.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -81.76 93.61 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.257 0.551 . . . . 0.0 109.724 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.622 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 15.8 pt -70.43 -15.39 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.789 -174.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -77.43 -0.95 27.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.984 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -119.21 5.45 11.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.377 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.622 ' CZ2' HG21 ' A' ' 25' ' ' ILE . 43.4 m0 -61.62 -46.81 93.75 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.994 176.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 31.3 Cg_exo -61.12 -14.24 32.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.302 2.001 . . . . 0.0 112.512 177.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.91 -32.25 53.75 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.752 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mp -98.32 -46.28 5.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.402 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -98.21 106.93 19.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.573 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m -79.25 8.91 5.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -86.73 -6.9 58.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.675 0.274 . . . . 0.0 111.205 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -124.19 147.38 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.964 0.411 . . . . 0.0 110.741 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HB1' ' CD2' ' A' ' 55' ' ' HIS . . . -92.09 -42.44 9.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.582 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.7 t -152.06 153.93 34.94 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.546 -177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.441 HG13 ' HB ' ' A' ' 25' ' ' ILE . 69.3 t -115.91 116.62 52.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.741 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 33.5 tt0 -93.67 108.38 20.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.425 -173.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.408 HG21 HD11 ' A' ' 25' ' ' ILE . 22.1 t -78.49 100.25 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.919 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.414 HD11 HG21 ' A' ' 49' ' ' THR . 92.7 mt -70.63 -42.15 71.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.131 0.491 . . . . 0.0 110.076 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.69 168.37 19.28 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.191 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 79.0 mtt180 -94.65 122.13 36.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.895 0.379 . . . . 0.0 110.087 177.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -93.62 84.6 4.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.6 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 68.03 -79.08 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.603 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -121.57 -6.17 9.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.672 0.749 . . . . 0.0 109.654 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.687 ' HG2' HG22 ' A' ' 70' ' ' VAL . 27.2 mttp -99.62 173.02 6.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.544 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 5.2 p -138.15 122.95 22.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.084 0.469 . . . . 0.0 110.05 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.489 HG23 ' HG2' ' A' ' 68' ' ' GLU . 16.6 m -93.65 116.06 28.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.296 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 67' ' ' SER . 13.3 p90 -119.07 133.59 55.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.741 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 45.7 ttt180 -110.43 99.33 8.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.937 -176.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.505 ' HB2' ' HB3' ' A' ' 65' ' ' TRP . 5.4 mp -73.86 119.04 17.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.933 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 m -100.38 116.86 33.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.626 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 63.0 mtt -86.47 -179.91 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.655 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.424 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 47.3 m80 -80.66 137.47 51.12 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HB3' HG21 ' A' ' 62' ' ' VAL . 9.7 Cg_endo -53.15 109.44 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.042 2.495 . . . . 0.0 111.746 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.06 157.91 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.559 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.45 -19.34 63.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.804 0.335 . . . . 0.0 110.944 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.68 -9.98 59.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.461 0.648 . . . . 0.0 110.37 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.55 29.39 24.42 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.652 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -120.43 118.89 31.47 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.743 0.306 . . . . 0.0 110.377 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.53 HG21 ' HB3' ' A' ' 56' ' ' PRO . 43.9 t -84.87 105.59 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -75.96 128.05 34.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.304 0.573 . . . . 0.0 111.163 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 p -126.86 131.95 51.06 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.494 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.505 ' HB3' ' HB2' ' A' ' 52' ' ' LEU . 9.4 t90 -111.41 119.43 38.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 51' ' ' ARG . 48.8 t -104.22 110.53 30.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.136 0.493 . . . . 0.0 110.062 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.47 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 23.1 t -127.06 148.87 50.12 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.489 ' HG2' HG23 ' A' ' 49' ' ' THR . 40.5 mt-10 -121.93 126.79 49.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 79' ' ' ARG . 30.5 ptt180 -124.33 142.84 50.95 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.335 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.687 HG22 ' HG2' ' A' ' 47' ' ' LYS . 32.9 t -105.5 114.29 44.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.513 175.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.444 ' HA ' HG21 ' A' ' 78' ' ' VAL . . . -99.82 101.7 12.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.742 0.306 . . . . 0.0 110.56 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 24.5 t70 -99.57 112.16 62.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.267 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 7.7 Cg_exo -73.28 -19.34 22.49 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 123.114 2.543 . . . . 0.0 112.664 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.0 t -70.48 -53.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.076 0.465 . . . . 0.0 110.804 -176.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.7 p -92.35 -7.6 47.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.58 ' HB3' ' HB2' ' A' ' 97' ' ' TYR . 47.5 mtm-85 56.03 49.97 14.67 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.918 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.0 m -130.99 123.07 27.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.114 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.536 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 48.7 t -108.78 123.71 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.239 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.607 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 79.7 mtt-85 -105.09 106.47 16.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.47 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.14 105.45 15.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -90.85 130.3 36.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.318 0.58 . . . . 0.0 110.409 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.486 ' HD3' ' SD ' ' A' ' 91' ' ' MET . 34.4 ttt180 -95.7 123.73 39.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.2 t -80.27 -57.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.646 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -58.83 121.87 12.18 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.739 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.592 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 18.9 p -83.51 -85.66 0.12 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.644 -177.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.46 -121.39 6.08 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.64 -20.78 19.92 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.444 2.096 . . . . 0.0 111.493 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.592 ' O ' ' HB ' ' A' ' 85' ' ' THR . 88.5 m-85 -98.12 155.66 17.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.155 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.546 HE21 ' HB2' ' A' ' 115' ' ' LYS . 5.5 tt0 -100.32 -27.56 13.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.405 0.621 . . . . 0.0 109.86 175.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.718 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 54.6 t80 -151.78 135.65 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.142 -173.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.486 ' SD ' ' HD3' ' A' ' 82' ' ' ARG . 67.6 mtp -148.28 109.29 4.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 111.438 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -118.37 116.54 26.95 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.3 mt -102.43 113.36 38.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.036 0.446 . . . . 0.0 110.406 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.478 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 54.8 t -100.27 111.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.737 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.536 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 48.7 m0 -96.87 106.77 19.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.168 177.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.554 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 77.1 mt-10 -102.85 129.88 49.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.904 0.383 . . . . 0.0 110.31 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.58 ' HB2' ' HB3' ' A' ' 76' ' ' ARG . 15.4 m-85 -102.44 111.62 23.99 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.481 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . . . -105.74 135.13 47.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.173 0.511 . . . . 0.0 111.297 -173.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.59 126.64 31.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.967 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 m -147.27 156.74 43.2 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.07 -23.5 55.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.05 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -79.75 -25.94 40.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.187 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.01 -169.28 33.61 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.736 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.1 m -85.69 113.19 21.7 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.669 0.271 . . . . 0.0 110.479 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.481 ' HB ' ' HB2' ' A' ' 98' ' ' ALA . 58.9 t -89.74 105.36 16.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 37.6 ttp -98.13 123.79 42.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.0 110.126 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.554 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 36.6 ttm-85 -102.72 117.45 34.68 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.354 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -102.76 90.69 3.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.478 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 22.0 m -88.62 106.26 18.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.19 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.52 104.16 16.31 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.334 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -85.9 96.2 9.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 39.7 p90 -117.93 138.76 51.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.897 0.379 . . . . 0.0 110.64 -176.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.718 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -124.38 136.09 53.81 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.95 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.8 mtp -97.38 -167.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HB2' HE21 ' A' ' 89' ' ' GLN . 59.5 tttp -170.04 -55.82 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.401 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 30.8 Cg_endo -64.21 -13.12 36.09 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 122.025 1.817 . . . . 0.0 113.875 -175.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 69.94 78.75 0.19 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.609 0.719 . . . . 0.0 110.699 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.89 159.35 60.49 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.836 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.85 -33.59 61.86 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.669 2.246 . . . . 0.0 111.679 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.3 m -82.44 116.77 27.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.793 173.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -75.24 167.94 20.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.538 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.54 -40.9 69.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.542 0.687 . . . . 0.0 109.277 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.52 81.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.32 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -70.47 -36.99 74.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 28.7 mtp -66.92 -35.51 80.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.052 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 84.8 m -57.05 -47.92 79.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.608 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.24 -44.15 84.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.994 0.426 . . . . 0.0 110.683 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -57.53 -46.87 83.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.632 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.96 -48.04 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.598 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.52 -47.39 82.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.203 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -63.55 -51.77 63.97 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.981 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.72 -44.38 93.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.771 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 137' ' ' MET . 23.0 t -66.02 -42.42 89.68 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.645 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -55.47 -38.48 69.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.435 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.3 m -66.82 -50.27 63.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.861 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.05 -40.91 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.741 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 133' ' ' SER . 96.4 mmm -64.88 -31.09 72.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.627 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.7 93.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 109.993 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.73 -47.57 83.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.29 175.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.68 -46.3 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.546 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.484 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 49.7 ttt-85 -53.97 -51.53 63.58 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.444 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 33.7 t70 -58.14 -50.03 74.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.248 -177.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -70.66 -27.96 64.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.579 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 14.3 mm -65.54 -42.97 94.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 141' ' ' ARG . 45.9 mt-10 -62.06 -40.9 97.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 176.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 96.2 mt-30 -64.6 -50.98 65.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.34 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.68 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.311 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.519 ' HA ' HD22 ' A' ' 17' ' ' LEU . . . -71.62 -28.06 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.728 0.299 . . . . 0.0 110.775 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -75.33 -42.19 28.76 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.629 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.514 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.41 ' HA3' ' CZ ' ' A' ' 112' ' ' PHE . . . -109.89 105.15 1.96 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.833 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -94.52 91.72 6.75 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.552 HG23 HG21 ' A' ' 126' ' ' THR . 6.2 m -106.1 112.61 25.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -173.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -96.6 103.72 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.795 0.331 . . . . 0.0 110.345 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -97.09 98.64 10.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -100.9 143.05 31.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.995 0.426 . . . . 0.0 111.219 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 137' ' ' MET . 12.5 tt -159.96 132.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.373 175.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.0 m -86.5 101.97 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.289 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.471 HD13 HD12 ' A' ' 144' ' ' ILE . 66.8 mt -79.32 132.55 31.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.76 52.9 1.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.981 0.42 . . . . 0.0 112.009 -173.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.49 148.25 36.43 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.875 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.32 144.33 99.5 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.832 2.355 . . . . 0.0 112.082 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.483 ' HG2' HG22 ' A' ' 104' ' ' THR . 83.2 mtp -54.84 -39.16 68.29 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.615 -175.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -57.79 -45.21 86.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.324 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' A' ' 148' ' ' ALA . 9.6 mp -78.1 -34.47 50.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.548 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.39 -43.93 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.346 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -65.26 -49.86 67.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.699 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.454 HG23 ' HA ' ' A' ' 17' ' ' LEU . 12.4 t -64.43 -22.3 66.92 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.027 0.442 . . . . 0.0 111.149 -177.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.6 mmm -84.39 -43.3 14.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.947 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.628 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 32.8 p -90.17 -21.95 21.95 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -172.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.569 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 63.6 t30 -79.25 -30.16 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.339 . . . . 0.0 110.525 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -74.32 106.32 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.525 ' HB ' HG13 ' A' ' 38' ' ' VAL . 24.9 pt -66.26 -18.61 24.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.919 -173.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -85.86 -1.17 57.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.832 0.349 . . . . 0.0 111.179 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -95.26 -13.81 24.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.398 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.492 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 48.3 m0 -57.38 -48.1 97.89 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 31.4 Cg_exo -60.04 -22.8 70.9 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.106 1.87 . . . . 0.0 112.74 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.53 -20.89 67.92 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.015 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.718 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 10.1 mp -103.34 -58.64 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.142 0.496 . . . . 0.0 110.198 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -91.31 104.49 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.682 -178.685 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -80.09 18.29 0.87 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.155 -173.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -95.65 -20.74 18.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.165 0.507 . . . . 0.0 110.577 176.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.464 ' CD1' HD23 ' A' ' 52' ' ' LEU . 10.0 m-30 -88.07 135.3 33.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -178.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.84 -59.72 2.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.238 0.542 . . . . 0.0 109.725 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 p -147.3 122.88 10.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.513 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.525 HG13 ' HB ' ' A' ' 25' ' ' ILE . 78.2 t -87.39 107.12 16.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 174.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.461 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 34.3 tt0 -96.8 119.34 35.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.513 -170.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 25' ' ' ILE . 21.5 t -70.2 104.82 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.868 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 tp -78.3 -34.1 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.012 0.434 . . . . 0.0 110.055 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.23 156.32 8.81 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.158 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' HG2' HG23 ' A' ' 48' ' ' VAL . 49.6 mtt180 -109.7 156.05 20.75 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.91 158.6 44.01 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.83 -28.68 61.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.831 0.348 . . . . 0.0 111.321 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -106.61 -18.71 13.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.863 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.828 ' HG2' HG22 ' A' ' 70' ' ' VAL . 60.7 mttp -144.28 168.17 20.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.396 0.617 . . . . 0.0 112.225 -169.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 43' ' ' ARG . 5.6 p -134.91 116.78 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 169.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 m -97.9 120.64 38.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.055 -173.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 67' ' ' SER . 53.6 p90 -115.5 140.72 48.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.372 0.606 . . . . 0.0 110.7 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 36.8 ttt180 -103.39 98.03 7.99 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 174.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 35' ' ' TYR . 5.1 tt -81.78 108.07 15.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.755 -173.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 94.5 m -86.42 102.59 14.19 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.384 175.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.487 ' HB3' ' HB2' ' A' ' 63' ' ' TRP . 10.2 tpt -75.17 137.71 41.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 175.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -58.26 140.32 83.54 Favored Pre-proline 0 C--N 1.331 -0.206 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.989 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.6 ' HB3' HG21 ' A' ' 62' ' ' VAL . 19.5 Cg_endo -58.25 139.44 90.53 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 123.237 2.624 . . . . 0.0 112.955 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.558 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 24.6 t70 -69.59 162.81 26.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.558 174.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.46 -19.88 62.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.771 0.319 . . . . 0.0 111.211 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.52 -30.76 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.19 0.519 . . . . 0.0 110.342 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.65 35.06 3.14 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.397 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 47.2 mmtm -114.24 117.12 30.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.722 -0.281 . . . . 0.0 110.652 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 56' ' ' PRO . 38.5 t -90.95 130.42 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.558 ' CH2' ' HB2' ' A' ' 57' ' ' ASP . 4.8 m0 -112.07 87.07 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.784 -174.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 35.0 m -97.21 110.49 23.03 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.893 175.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -116.44 142.21 47.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.199 0.523 . . . . 0.0 111.26 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.5 t -88.75 129.37 39.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.805 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 15.2 m -135.03 146.27 48.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.001 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -106.53 119.78 40.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.056 0.455 . . . . 0.0 110.772 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.569 ' NH2' ' HA ' ' A' ' 23' ' ' ASN . 25.7 ttt85 -107.4 117.85 35.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.887 -176.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.828 HG22 ' HG2' ' A' ' 47' ' ' LYS . 27.0 t -101.31 97.66 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.3 112.88 26.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 29.8 t70 -122.31 118.08 29.03 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.874 0.369 . . . . 0.0 110.574 176.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 8.9 Cg_exo -72.26 -24.78 19.41 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.321 2.681 . . . . 0.0 112.881 -177.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.6 -52.26 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.942 0.401 . . . . 0.0 110.448 -177.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 p -76.69 -17.56 59.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.687 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.495 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 95.0 mtt180 65.94 38.63 4.88 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.64 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.4 m -141.17 131.86 25.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.844 -178.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.582 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 50.3 t -115.43 115.81 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.6 mtt85 -101.52 104.15 15.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . . . -108.2 104.7 14.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.847 0.356 . . . . 0.0 110.371 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -100.98 134.95 43.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.279 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 ttp85 -102.58 115.14 29.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.99 0.424 . . . . 0.0 110.044 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.6 t -79.16 -36.64 18.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.724 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -95.82 97.43 9.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.755 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 5.1 p -95.15 -34.76 12.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.689 -171.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.5 -111.42 3.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.015 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -69.1 -21.84 35.97 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.741 2.294 . . . . 0.0 112.237 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.552 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 26.6 m-85 -82.98 155.03 24.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -87.03 -41.44 13.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.784 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -159.31 154.48 25.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.398 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 45.9 ttm -156.8 124.35 5.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.97 0.414 . . . . 0.0 111.115 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -134.92 133.19 39.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.401 HG21 ' HG2' ' A' ' 110' ' ' GLN . 17.8 mt -116.83 118.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 110.814 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.532 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 60.4 t -103.87 111.36 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.628 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.8 m0 -90.41 104.65 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.4 tt0 -98.87 124.83 44.04 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.415 ' HB3' ' HE2' ' A' ' 15' ' ' MET . 26.8 m-85 -105.21 118.66 37.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.438 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.567 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . . . -106.06 150.93 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.495 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 29.5 tt0 -97.63 127.78 43.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.105 0.479 . . . . 0.0 112.132 -168.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.75 150.7 43.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.131 170.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.43 -21.8 55.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.083 0.468 . . . . 0.0 110.755 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -95.49 3.2 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.161 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.66 -169.16 33.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.699 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.483 HG22 ' HG2' ' A' ' 15' ' ' MET . 29.3 m -115.78 122.41 45.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.644 0.259 . . . . 0.0 110.333 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 98' ' ' ALA . 56.4 t -89.4 93.94 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 41.5 ttp -101.6 129.98 47.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.226 0.536 . . . . 0.0 110.801 -174.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' A' ' 96' ' ' GLU . 97.6 mtt180 -108.07 112.85 25.61 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.005 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -87.42 84.97 7.1 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.532 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 11.9 m -78.25 94.81 4.85 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.821 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.401 ' HG2' HG21 ' A' ' 93' ' ' ILE . 96.2 mt-30 -94.44 107.47 19.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.031 -177.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -104.79 103.74 13.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.555 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.41 ' CZ ' ' HA3' ' A' ' 3' ' ' GLY . 53.2 p90 -119.38 154.86 32.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.478 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -124.4 124.58 42.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.003 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.454 ' HE3' ' HA ' ' A' ' 88' ' ' PHE . 11.4 mtp -130.46 156.39 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.147 177.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 28.1 ttpp 177.44 -47.79 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.541 -173.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 43.0 Cg_endo -69.31 116.88 4.73 Favored 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 121.94 1.76 . . . . 0.0 113.137 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.9 t70 76.39 -27.0 0.18 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.706 0.802 . . . . 0.0 112.563 168.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.5 129.37 51.38 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.83 -173.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -89.94 25.3 0.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.221 2.614 . . . . 0.0 112.224 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.8 m -83.89 125.63 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.917 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -84.83 31.57 0.54 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.713 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 67.69 -69.35 0.14 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.559 0.744 . . . . 0.0 110.934 -178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.61 -25.24 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.372 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 -59.94 -44.29 94.46 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.225 0.536 . . . . 0.0 109.989 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.466 ' HE2' ' CE2' ' A' ' 88' ' ' PHE . 85.7 mtp -72.87 -40.44 65.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.224 178.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.552 HG21 HG23 ' A' ' 5' ' ' THR . 84.8 m -53.83 -42.74 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.446 0.467 . . . . 0.0 111.384 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.16 -44.45 72.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.678 0.275 . . . . 0.0 111.033 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.16 -40.68 96.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.274 177.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 125' ' ' MET . 64.5 mt -60.98 -46.65 96.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.863 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -51.41 -48.34 62.66 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.021 0.438 . . . . 0.0 111.002 177.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -69.13 -46.05 68.61 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.074 0.464 . . . . 0.0 110.921 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -67.5 -44.14 79.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.191 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 99.8 p -67.78 -44.33 77.67 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.573 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -54.56 -43.65 72.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.2 0.524 . . . . 0.0 110.099 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.5 m -69.54 -47.06 64.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.209 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.411 ' HG2' ' CZ ' ' A' ' 32' ' ' PHE . 8.8 tp-100 -70.83 -42.42 70.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.715 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.464 ' HB3' HG23 ' A' ' 9' ' ' ILE . 95.2 mmm -66.58 -28.56 68.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.23 99.72 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 171.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 59.7 tp -63.81 -47.89 79.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.386 176.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.516 HG23 HD22 ' A' ' 31' ' ' LEU . 73.7 mt -60.34 -41.58 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 177.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -57.26 -48.2 79.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.537 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.4 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.566 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.718 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 15.2 tpt180 -65.9 -44.98 83.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.238 -177.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.471 HD12 HD13 ' A' ' 11' ' ' ILE . 51.0 mt -65.81 -41.53 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.445 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.85 -38.08 81.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.046 0.45 . . . . 0.0 110.076 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -62.78 -46.6 87.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.28 176.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.09 82.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.526 ' HA ' HD21 ' A' ' 17' ' ' LEU . . . -72.36 -14.85 61.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.672 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -89.09 -31.14 12.38 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 120.911 0.386 . . . . 0.0 109.972 174.499 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.812 0.339 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.28 152.38 34.22 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -138.31 112.86 8.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.09 0.472 . . . . 0.0 111.348 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.51 HG22 ' HB ' ' A' ' 129' ' ' ILE . 25.6 m -123.52 112.42 17.46 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.272 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -108.06 114.08 27.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.11 0.481 . . . . 0.0 110.414 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -108.1 108.39 19.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.159 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -91.27 118.75 30.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.665 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.0 tt -126.93 123.38 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.388 0.613 . . . . 0.0 110.676 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 19.1 m -86.44 117.71 25.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.155 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.437 HD12 HD11 ' A' ' 144' ' ' ILE . 56.9 mt -98.24 125.18 51.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 120.821 0.343 . . . . 0.0 110.387 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.12 79.36 9.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.466 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.23 151.7 11.86 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.699 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.417 ' O ' HG21 ' A' ' 18' ' ' VAL . 51.9 Cg_exo -56.49 135.18 68.87 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.861 2.374 . . . . 0.0 112.054 177.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.61 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 86.0 mtp -55.54 -32.75 63.23 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.052 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -51.9 -48.56 64.09 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.384 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.755 ' HA ' HG23 ' A' ' 20' ' ' THR . 9.1 mp -85.2 -32.94 22.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.423 -176.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 14' ' ' PRO . 90.0 t -55.92 -48.14 78.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.758 0.313 . . . . 0.0 110.182 177.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -69.14 -44.79 71.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.42 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.755 HG23 ' HA ' ' A' ' 17' ' ' LEU . 1.3 t -67.49 -22.89 65.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.722 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.3 mmm -82.27 -40.82 21.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.638 0.256 . . . . 0.0 111.126 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.2 p -79.08 -35.39 42.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.845 0.355 . . . . 0.0 111.245 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -68.6 -34.74 76.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -76.75 90.17 3.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.156 0.503 . . . . 0.0 109.777 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.602 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 27.0 pt -72.45 -16.74 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.339 -175.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.04 -9.99 59.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.49 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -107.36 -0.68 22.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.596 -178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.602 ' CZ2' HG21 ' A' ' 25' ' ' ILE . 43.4 m0 -62.16 -37.76 40.92 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.38 -29.25 47.38 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.575 1.517 . . . . 0.0 112.345 172.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.42 22.85 29.9 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.501 HD13 HG21 ' A' ' 140' ' ' ILE . 31.9 tp -130.67 -42.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.34 0.591 . . . . 0.0 109.483 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.64 -174.51 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.825 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.4 m -120.6 -39.76 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.607 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -86.77 -27.27 23.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 111.616 -175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 67.6 m-85 -88.85 108.64 19.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.064 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.34 -32.74 19.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.912 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.5 t -138.33 142.35 39.72 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.276 0.56 . . . . 0.0 110.592 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG22 ' HB2' ' A' ' 28' ' ' TRP . 86.5 t -118.15 96.91 4.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.634 176.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -94.55 101.32 13.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.601 -172.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -72.78 107.93 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.91 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 mt -71.55 -32.6 68.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.899 0.857 . . . . 0.0 109.06 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.41 166.04 32.44 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.314 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.517 ' HB3' HG22 ' A' ' 48' ' ' VAL . 21.0 ptt180 -153.42 136.25 15.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 117.861 0.83 . . . . 0.0 111.795 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.604 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 5.1 m-20 -94.59 173.8 7.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.104 176.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.38 -34.66 48.91 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.376 0.423 . . . . 0.0 112.084 -175.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 5.7 p-10 -131.09 5.99 4.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.611 0.243 . . . . 0.0 111.536 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.604 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 60.1 mttp -132.04 97.23 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 111.154 -173.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 43' ' ' ARG . 7.0 p -95.45 124.34 48.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.114 0.483 . . . . 0.0 111.035 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.1 m -104.02 100.91 10.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.035 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -118.49 153.22 34.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.556 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -111.7 120.96 43.78 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.869 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.624 ' O ' ' HA ' ' A' ' 64' ' ' SER . 77.7 mt -87.81 108.47 19.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.746 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 m -97.9 117.52 32.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.64 -176.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 58.2 mtt -94.21 -161.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.636 173.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -101.64 159.57 29.04 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.521 ' HG3' HG21 ' A' ' 62' ' ' VAL . 64.8 Cg_exo -52.28 116.1 2.61 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 177.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.38 -173.67 3.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.005 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.82 71.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.917 0.389 . . . . 0.0 111.59 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.01 -6.36 48.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.55 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.72 1.16 89.14 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -77.99 125.64 29.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.105 -0.547 . . . . 0.0 110.587 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.521 HG21 ' HG3' ' A' ' 56' ' ' PRO . 40.1 t -86.52 99.73 8.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 171.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.449 ' HE3' ' CZ3' ' A' ' 65' ' ' TRP . 11.7 m95 -70.55 97.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.671 0.748 . . . . 0.0 111.264 -173.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.624 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 34.5 t -128.32 101.62 6.31 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.902 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.496 ' HA ' ' OE2' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -107.32 136.63 46.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.465 0.65 . . . . 0.0 112.289 -174.393 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.76 126.22 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.445 175.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -133.38 131.71 40.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.373 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -102.59 126.49 49.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.761 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -121.84 122.38 39.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.935 0.398 . . . . 0.0 111.146 -176.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.513 HG21 ' HG2' ' A' ' 47' ' ' LYS . 62.0 t -100.84 114.62 40.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.7 176.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.85 102.26 11.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.199 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -103.25 107.54 55.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.131 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.43 -21.35 30.5 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.266 2.644 . . . . 0.0 112.773 -177.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.22 -54.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.974 0.416 . . . . 0.0 110.417 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.1 p -79.68 -12.19 59.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.759 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 61.06 33.56 19.54 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.375 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.7 m -124.39 122.55 38.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.385 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.1 t -110.33 116.56 52.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.127 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.47 ' HB3' HD22 ' A' ' 92' ' ' ASN . 99.2 mtt180 -105.41 115.69 30.68 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.882 -178.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.21 106.26 16.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.187 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -100.66 127.15 47.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -89.63 114.42 26.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.851 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.7 t -75.87 -43.86 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.713 -175.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.496 ' OE2' ' HA ' ' A' ' 65' ' ' TRP . 38.2 mt-10 -80.01 96.07 6.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.434 0.635 . . . . 0.0 109.469 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.53 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 12.8 p -89.65 -67.92 0.81 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.345 -170.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.435 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 103.45 -104.28 2.48 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 6.3 Cg_exo -73.94 -30.3 9.29 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.69 2.26 . . . . 0.0 111.0 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.53 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 82.3 m-85 -70.94 148.89 47.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.228 -178.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -89.99 -44.47 9.84 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -145.17 140.8 28.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.971 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.518 ' SD ' ' HB3' ' A' ' 112' ' ' PHE . 14.5 tpt -140.11 104.28 4.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.571 0.224 . . . . 0.0 110.744 -177.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.47 HD22 ' HB3' ' A' ' 79' ' ' ARG . 3.0 t-20 -125.16 114.21 18.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.955 0.407 . . . . 0.0 110.911 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 mt -93.63 112.67 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.775 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.2 t -98.99 115.24 39.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.841 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.426 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 43.6 m0 -96.15 111.39 23.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.787 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -109.62 119.89 40.8 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.662 0.268 . . . . 0.0 110.518 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.78 128.28 45.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.948 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.76 149.33 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.339 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.61 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 41.4 mt-10 -85.03 121.86 28.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.977 178.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.2 m -145.02 157.45 44.12 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.69 -25.56 62.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.781 0.324 . . . . 0.0 111.522 -173.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -77.15 -14.53 59.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.969 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.24 -169.26 24.32 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.9 m -80.92 111.86 17.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.805 0.336 . . . . 0.0 110.298 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.428 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 81.7 t -83.45 112.23 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.418 ' HE3' ' HE2' ' A' ' 137' ' ' MET . 42.7 ttp -107.65 122.18 46.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.031 0.443 . . . . 0.0 110.428 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -91.39 119.38 31.34 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.929 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -92.57 85.78 5.4 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 15.0 m -96.27 107.31 19.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.357 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -91.77 112.17 23.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.016 0.436 . . . . 0.0 110.416 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -98.55 99.28 10.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.322 -0.854 . . . . 0.0 108.751 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.518 ' HB3' ' SD ' ' A' ' 91' ' ' MET . 33.1 p90 -126.87 118.13 23.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.594 0.711 . . . . 0.0 111.755 -174.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -89.69 125.95 35.46 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 53.3 ttp -170.9 150.32 3.14 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.64 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 37.7 tttp -156.81 -50.05 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 123.326 0.391 . . . . 0.0 110.894 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.64 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 31.1 Cg_exo -64.5 139.66 65.55 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.069 1.846 . . . . 0.0 112.116 175.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 38.9 t70 75.73 -19.15 0.42 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.669 0.788 . . . . 0.0 111.503 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' A' ' 116' ' ' PRO . . . -103.53 107.42 56.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.848 0.356 . . . . 0.0 110.98 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -86.15 32.45 0.46 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.56 2.84 . . . . 0.0 111.772 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.529 HG13 ' HD1' ' A' ' 124' ' ' TRP . 33.0 m -94.11 170.63 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.596 -173.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -125.08 35.51 4.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.129 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.3 t70 68.29 -67.78 0.19 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.135 -0.938 . . . . 0.0 111.267 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.71 -22.16 65.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.876 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.529 ' HD1' HG13 ' A' ' 120' ' ' VAL . 73.1 t-105 -63.9 -41.86 97.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.357 0.598 . . . . 0.0 109.428 175.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.44 ' HE1' HD13 ' A' ' 129' ' ' ILE . 95.2 mtp -79.39 -36.65 38.83 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.911 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 130' ' ' ASN . 31.5 m -53.83 -46.87 71.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 13.5 t70 -66.79 -52.19 46.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.752 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -58.79 -51.99 67.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.092 0.472 . . . . 0.0 111.275 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.51 ' HB ' HG22 ' A' ' 5' ' ' THR . 89.9 mt -66.55 -32.03 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.233 -176.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 126' ' ' THR . 18.2 t-20 -58.57 -44.15 89.64 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 44.8 mtt-85 -72.46 -46.61 54.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.231 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -57.04 -57.56 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.329 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.4 m -65.2 -36.04 82.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.139 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 134' ' ' ARG . 13.0 ttm180 -64.23 -46.69 82.71 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.048 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.9 m -62.83 -45.73 91.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.967 0.413 . . . . 0.0 110.281 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -60.02 -50.81 72.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.022 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.502 ' SD ' HD11 ' A' ' 140' ' ' ILE . 88.5 mmm -76.79 -14.03 59.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.266 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.85 -40.0 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.484 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 52.4 tp -63.04 -45.16 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.545 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.502 HD11 ' SD ' ' A' ' 137' ' ' MET . 51.5 mt -64.06 -42.28 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.717 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -44.82 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 174.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -65.27 -43.17 92.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 3.0 mmp_? -61.64 -41.39 97.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.85 178.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.437 HD11 HD12 ' A' ' 11' ' ' ILE . 60.9 mt -67.39 -43.31 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.71 -42.24 98.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 110.086 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.69 -43.44 80.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.556 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.96 -40.84 68.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.175 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.457 ' HA ' HD21 ' A' ' 17' ' ' LEU . . . -71.17 -23.42 62.05 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -81.83 -37.63 15.87 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.447 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 0.0 110.894 179.526 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.732 0.301 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -116.38 144.1 18.3 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.824 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -104.55 82.0 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 m -83.96 114.89 22.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.397 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -113.78 90.24 3.29 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.42 104.61 16.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.636 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 25.0 mt-10 -95.4 155.99 16.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.088 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 tt -158.09 140.25 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.007 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 m -96.79 113.93 25.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.53 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.514 HG12 ' HG3' ' A' ' 141' ' ' ARG . 53.3 mt -98.93 129.65 48.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.84 -13.46 58.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.935 0.398 . . . . 0.0 111.375 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.52 150.94 97.6 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.203 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.31 153.14 79.2 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.758 2.305 . . . . 0.0 112.773 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 83.9 mmm -50.97 -37.22 43.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.128 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.35 -76.9 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.186 0 O-C-N 123.589 0.556 . . . . 0.0 111.673 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -51.87 -42.83 62.96 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 122.6 0.36 . . . . 0.0 111.918 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -53.48 -55.5 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 O-C-N 123.057 0.223 . . . . 0.0 111.423 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.455 ' CH2' ' HA ' ' A' ' 76' ' ' ARG . 9.9 t-105 -69.45 -47.3 64.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.7 m -51.68 -53.06 43.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.458 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 mtt -75.32 -48.51 22.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.719 0.295 . . . . 0.0 111.729 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -69.03 -27.23 65.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' TRP . 28.7 m-80 -90.85 -9.39 46.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -176.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -96.14 111.46 23.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 171.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.512 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 25.7 pt -72.11 -9.01 12.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.691 -168.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.39 -3.04 58.08 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.16 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HB3' HD11 ' A' ' 31' ' ' LEU . 10.1 mptt -106.45 3.94 27.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.968 0.413 . . . . 0.0 110.327 175.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.512 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 35.5 m0 -64.53 -51.08 62.06 Favored Pre-proline 0 C--O 1.218 -0.59 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.267 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 9.5 Cg_endo -54.33 -31.88 69.39 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.855 1.703 . . . . 0.0 112.96 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.07 -53.46 4.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.522 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 27' ' ' LYS . 11.1 mp -73.39 -55.11 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.401 . . . . 0.0 111.035 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.466 ' CD2' HD13 ' A' ' 140' ' ' ILE . 2.0 t80 -93.13 87.45 5.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -78.51 85.47 4.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.285 0.564 . . . . 0.0 110.403 -174.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -163.9 -43.81 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.389 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.487 ' HD1' ' SD ' ' A' ' 54' ' ' MET . 27.5 m-85 -73.88 141.79 46.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.845 177.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.33 -67.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.903 0.382 . . . . 0.0 111.056 -178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.556 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 17.8 m -121.74 109.38 14.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.018 0.437 . . . . 0.0 110.833 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.483 HG12 ' HB ' ' A' ' 25' ' ' ILE . 49.0 t -92.83 103.8 15.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.628 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 6.2 mm-40 -98.73 139.59 34.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.597 -172.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.506 HG21 HD12 ' A' ' 25' ' ' ILE . 24.0 t -90.6 112.8 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.835 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD11 HG23 ' A' ' 49' ' ' THR . 83.7 mt -90.18 -29.39 18.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.997 0.427 . . . . 0.0 110.628 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.73 156.31 12.53 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.563 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -125.59 106.14 9.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.91 0.355 . . . . 0.0 110.5 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -107.36 157.5 17.91 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -45.46 -45.65 13.15 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.04 0.837 . . . . 0.0 112.168 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -116.87 6.33 13.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.671 -177.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -145.42 95.1 2.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.697 0.284 . . . . 0.0 111.596 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.802 HG12 ' HB3' ' A' ' 69' ' ' ARG . 3.5 p -95.95 96.29 5.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.806 0.812 . . . . 0.0 108.971 171.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.432 HG23 HD11 ' A' ' 41' ' ' LEU . 14.0 m -79.33 123.81 27.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.781 -175.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CE1' ' HG ' ' A' ' 52' ' ' LEU . 55.1 p90 -124.81 155.91 38.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.136 0.493 . . . . 0.0 111.12 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.628 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 41.4 ttt180 -113.68 112.11 22.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.915 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' HG ' ' CE1' ' A' ' 50' ' ' PHE . 28.7 mt -86.99 100.54 12.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.236 0.541 . . . . 0.0 110.444 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.556 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 29.4 m -97.12 114.8 26.51 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.119 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.487 ' SD ' ' HD1' ' A' ' 35' ' ' TYR . 90.3 mmm -87.31 167.49 14.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -57.32 134.99 81.38 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.496 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.92 118.34 4.67 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 123.015 2.476 . . . . 0.0 111.634 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -57.37 149.3 20.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.311 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.35 -26.45 60.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.86 -10.03 59.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.995 0.426 . . . . 0.0 110.877 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.04 40.48 4.58 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.466 176.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -125.37 124.48 41.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.4 t -91.16 107.77 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.873 0.368 . . . . 0.0 110.245 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.562 ' HE3' ' HZ3' ' A' ' 65' ' ' TRP . 11.6 m95 -75.44 101.6 4.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.424 0.63 . . . . 0.0 110.7 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 m -126.0 114.86 19.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.199 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.562 ' HZ3' ' HE3' ' A' ' 63' ' ' TRP . 9.9 p90 -115.04 135.84 53.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.284 0.564 . . . . 0.0 110.929 177.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.8 t -89.38 134.4 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.205 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 33.5 t -138.63 139.25 38.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.94 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -103.26 123.19 46.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.802 ' HB3' HG12 ' A' ' 48' ' ' VAL . 67.5 ttt180 -103.42 123.72 47.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.177 -172.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -106.84 103.05 14.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.222 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.69 107.12 18.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.689 0.281 . . . . 0.0 110.412 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 14.5 t70 -102.6 105.23 43.11 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.805 177.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 10.2 Cg_exo -71.67 -22.6 23.9 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 123.158 2.572 . . . . 0.0 112.661 -176.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.43 -49.55 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.176 0.512 . . . . 0.0 110.826 -176.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 m -88.55 -4.67 58.55 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.517 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 3.1 mpt_? 57.03 42.01 26.68 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.444 0.64 . . . . 0.0 110.077 -175.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 94.3 m -124.74 121.12 33.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.584 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 22.5 t -107.44 100.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.262 0.553 . . . . 0.0 109.586 176.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -92.32 111.28 22.79 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.67 -174.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.96 112.43 24.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.909 0.385 . . . . 0.0 110.831 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -103.97 128.26 51.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.248 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -89.24 109.18 20.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.2 t -63.46 -42.5 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.369 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -76.55 111.62 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.35 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.8 p -95.83 -74.86 0.54 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.019 -172.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.6 -128.79 8.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.788 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 116' ' ' PRO . 18.3 Cg_endo -60.99 -36.64 81.84 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.534 2.156 . . . . 0.0 111.557 176.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.547 ' HZ ' ' HE2' ' A' ' 125' ' ' MET . 79.0 m-85 -87.66 92.87 9.26 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.299 175.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.02 -29.77 70.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.289 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.653 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 36.0 t80 -132.33 121.7 23.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.317 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 82.4 mmm -129.94 96.4 4.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -123.6 105.3 9.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.752 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.508 HG12 ' HG3' ' A' ' 110' ' ' GLN . 9.5 mt -105.46 107.41 22.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.142 0.496 . . . . 0.0 110.384 -176.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 93.8 t -94.67 108.97 21.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.913 -178.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.552 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 20.8 m0 -90.46 105.7 18.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.633 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.1 tt0 -102.66 136.87 41.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.607 -176.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -120.11 128.7 53.7 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -124.2 126.13 45.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.764 0.316 . . . . 0.0 111.396 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.54 109.18 4.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.958 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 m -120.62 157.75 28.86 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.04 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 111.191 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -76.64 -36.79 57.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.421 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 162.9 -169.32 38.06 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.703 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 86.2 m -81.69 109.47 16.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.948 0.404 . . . . 0.0 110.628 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.7 t -84.66 121.1 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.482 ' HA ' ' O ' ' A' ' 96' ' ' GLU . 52.9 ttp -111.03 129.22 55.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.751 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.636 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 50.4 mtt-85 -100.85 126.85 47.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.984 175.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -98.87 83.92 3.01 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 166.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.546 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 8.9 m -88.16 92.47 9.16 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.269 -177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.508 ' HG3' HG12 ' A' ' 93' ' ' ILE . 53.4 tt0 -96.95 101.04 12.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.031 0.443 . . . . 0.0 110.608 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.4 95.92 8.91 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 172.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 25.6 p90 -109.53 134.66 51.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.328 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.653 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -124.39 103.96 8.5 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.563 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 19.6 ptm -116.14 147.01 41.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.989 0.423 . . . . 0.0 110.662 -176.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.745 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 87.9 tttt -157.18 -54.93 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.361 -173.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 24.9 Cg_exo -63.19 115.86 3.24 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.78 1.653 . . . . 0.0 111.954 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 64.29 28.41 13.83 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.273 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.24 104.61 30.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -82.84 -3.82 11.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.712 2.274 . . . . 0.0 112.187 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.464 HG21 ' HG2' ' A' ' 125' ' ' MET . 29.1 m -79.59 146.76 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.393 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.84 44.93 1.13 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.995 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.6 t70 69.94 -68.73 0.19 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.192 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.86 -21.35 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.771 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.402 ' HB3' ' HB ' ' A' ' 120' ' ' VAL . 74.9 t-105 -64.08 -43.81 94.3 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.888 0.375 . . . . 0.0 110.183 178.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.563 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 90.5 mmm -74.74 -29.89 61.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.4 m -53.97 -53.42 53.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.324 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.55 -33.86 67.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.44 179.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -61.06 -48.34 82.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.425 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.62 -41.55 93.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.441 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -53.26 -52.91 57.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.117 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -64.58 -47.97 76.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.246 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.575 ' O ' ' HG2' ' A' ' 136' ' ' GLN . 8.8 t30 -59.06 -58.07 10.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 137' ' ' MET . 31.4 m -64.77 -37.67 88.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -175.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -54.49 -48.68 71.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.928 0.395 . . . . 0.0 110.36 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 25.7 m -62.86 -40.4 97.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 132' ' ' ASN . 9.9 mm100 -70.12 -36.24 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 133' ' ' SER . 27.1 mmt -63.63 -48.18 78.34 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.557 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.54 83.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.324 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.413 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 2.1 tm? -61.44 -49.66 75.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.906 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 32' ' ' PHE . 70.3 mt -63.1 -47.61 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.212 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.514 ' HG3' HG12 ' A' ' 11' ' ' ILE . 62.6 ttp85 -56.13 -45.43 79.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.961 0.41 . . . . 0.0 110.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 35.7 t70 -58.21 -51.99 67.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.536 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 25.7 mmt85 -57.28 -48.67 78.31 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.612 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 50.3 mt -66.15 -43.33 92.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.317 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.82 -21.95 58.99 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.522 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 96.5 mt-30 -69.54 -32.86 71.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 170.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.16 -45.1 20.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.807 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.24 -26.72 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.541 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -80.42 -27.86 50.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.144 -0.55 . . . . 0.0 111.957 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.305 0.574 . . . . 0.0 109.735 176.849 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 112' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.575 0.226 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.435 ' CA ' ' HB3' ' A' ' 122' ' ' ASP . . . -74.44 125.49 8.69 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.038 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.506 ' HD2' ' HA ' ' A' ' 111' ' ' ASP . 32.2 m170 -124.93 102.09 7.37 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.182 0.515 . . . . 0.0 110.335 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' A' ' 126' ' ' THR . 24.3 m -99.26 125.88 44.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.08 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.437 ' CG ' HH21 ' A' ' 107' ' ' ARG . 23.2 t0 -123.48 97.99 5.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.701 HD22 ' HB2' ' A' ' 134' ' ' ARG . 21.6 t-20 -105.17 109.05 20.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.339 -177.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.603 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 29.7 mt-10 -100.29 127.42 46.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.01 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 mm -121.39 116.12 48.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.141 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.3 m -80.79 103.64 10.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.016 0.436 . . . . 0.0 110.62 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.47 HG12 ' HG3' ' A' ' 141' ' ' ARG . 45.7 mt -97.12 128.97 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.68 35.56 0.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.176 0.513 . . . . 0.0 110.949 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.87 147.98 42.32 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.344 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.432 ' O ' HG22 ' A' ' 18' ' ' VAL . 52.5 Cg_exo -53.97 130.65 40.41 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 123.103 2.535 . . . . 0.0 112.46 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.0 ttm -55.51 -32.32 62.79 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.394 -178.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.18 -45.87 86.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.8 mp -75.36 -41.84 55.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.123 -179.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 14' ' ' PRO . 59.3 t -55.46 -46.18 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -65.5 -48.11 73.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 17' ' ' LEU . 13.5 t -69.2 -33.91 74.07 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.185 -174.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.6 mtt -73.62 -31.06 63.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.633 0.254 . . . . 0.0 111.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.1 p -89.92 -11.83 40.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.058 0.456 . . . . 0.0 110.709 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.06 -41.18 74.49 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.925 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.431 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 15.4 t0 -73.76 101.73 3.78 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.932 178.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.496 HD12 HG21 ' A' ' 40' ' ' VAL . 42.6 pt -75.43 -12.25 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.416 -176.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -85.64 -1.28 56.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.409 0.623 . . . . 0.0 109.863 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HD2' ' HB3' ' A' ' 24' ' ' ASP . 49.6 mttp -101.48 -9.73 20.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.343 175.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.52 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 44.5 m0 -56.69 -49.26 94.71 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.381 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.8 Cg_endo -60.06 -14.91 30.7 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.08 1.853 . . . . 0.0 112.585 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.57 -40.53 5.33 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.1 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD22 HG22 ' A' ' 140' ' ' ILE . 10.8 mp -85.4 -48.71 8.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 111.038 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.03 111.95 20.78 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -89.02 -11.22 44.83 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -77.15 -20.17 55.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.08 0.467 . . . . 0.0 110.563 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -105.27 160.07 15.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.12 -54.91 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.515 -176.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.5 m -147.31 150.95 35.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.936 0.398 . . . . 0.0 111.325 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG22 ' HB2' ' A' ' 28' ' ' TRP . 74.5 t -123.77 107.19 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.407 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -98.01 132.67 43.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.758 -175.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.496 HG21 HD12 ' A' ' 25' ' ' ILE . 54.0 t -77.44 111.78 14.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.8 tp -80.12 -34.07 38.15 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.46 156.26 15.75 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.624 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -122.47 85.34 2.4 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -90.37 100.99 13.73 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.551 -171.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 65.89 -83.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.775 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -129.94 -3.03 4.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HG2' HG22 ' A' ' 70' ' ' VAL . 97.2 mttt -88.02 127.37 35.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.321 177.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.427 HG13 HH21 ' A' ' 69' ' ' ARG . 6.1 p -108.8 104.28 16.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.819 0.819 . . . . 0.0 110.024 176.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.435 HG21 ' HG2' ' A' ' 68' ' ' GLU . 38.2 m -92.41 118.24 30.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.031 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 67' ' ' SER . 50.8 p90 -113.93 142.29 46.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.495 0.664 . . . . 0.0 111.009 -177.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -105.42 101.58 11.1 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.371 175.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 64' ' ' SER . 3.4 tt -82.65 116.06 21.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.551 -174.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.1 m -100.71 108.64 20.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.436 0.636 . . . . 0.0 110.366 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.479 ' HB3' ' HB2' ' A' ' 63' ' ' TRP . 16.4 ttt -98.94 167.76 10.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -62.57 131.85 94.23 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.719 0.295 . . . . 0.0 111.583 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HB3' HG23 ' A' ' 62' ' ' VAL . 26.6 Cg_endo -62.96 146.28 94.75 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.936 2.424 . . . . 0.0 111.954 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -90.42 -170.63 2.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.22 -19.66 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 111.061 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.51 -25.37 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.289 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.61 -1.21 87.11 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 -170.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -73.89 109.3 7.28 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.399 -0.9 . . . . 0.0 109.53 176.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.412 HG23 ' HB3' ' A' ' 56' ' ' PRO . 56.0 t -74.96 120.68 24.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 65' ' ' TRP . 49.3 m0 -76.48 83.93 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.991 0.424 . . . . 0.0 110.247 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 11.3 t -121.0 110.51 16.36 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.519 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 63' ' ' TRP . 2.7 p90 -119.5 147.95 43.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.429 -175.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.15 128.02 42.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.341 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 14.7 m -134.81 138.55 44.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.788 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.435 ' HG2' HG21 ' A' ' 49' ' ' THR . 57.6 mt-10 -107.36 128.91 54.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.427 HH21 HG13 ' A' ' 48' ' ' VAL . 29.6 ttp180 -119.58 125.06 47.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.86 0.362 . . . . 0.0 111.179 -176.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.472 HG22 ' HG2' ' A' ' 47' ' ' LYS . 29.3 t -115.62 117.78 56.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.489 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -119.36 102.89 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.183 -175.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 3.7 p-10 -97.22 121.48 58.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.402 0.62 . . . . 0.0 109.906 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 10.0 Cg_exo -73.05 -8.53 22.32 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.107 2.538 . . . . 0.0 111.789 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.39 -56.34 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.391 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.67 -6.47 46.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.59 -177.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? 62.93 46.84 4.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.223 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.5 m -131.48 123.08 27.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.134 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.575 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.2 t -108.49 112.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.101 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 74.6 mtt85 -101.08 110.7 22.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.603 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.418 ' HB2' ' HG3' ' A' ' 69' ' ' ARG . . . -111.16 100.17 8.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.771 0.32 . . . . 0.0 110.476 177.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -93.65 119.93 33.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 0.0 110.644 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -90.6 111.2 22.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.928 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 52.5 t -66.59 -58.78 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.52 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -82.82 94.05 7.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.451 0.643 . . . . 0.0 109.776 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -82.29 -21.99 35.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.485 -174.157 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.63 -112.93 3.83 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.815 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.96 -26.31 15.44 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.942 2.428 . . . . 0.0 111.912 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 25.8 m-85 -82.11 168.67 17.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.69 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -101.48 -63.66 1.12 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.219 0.533 . . . . 0.0 109.63 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -114.01 148.16 37.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.466 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 52.3 ttm -164.42 108.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.011 0.434 . . . . 0.0 111.165 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -112.28 113.25 25.37 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.523 HG22 ' HG2' ' A' ' 110' ' ' GLN . 41.7 mt -91.59 103.23 14.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.212 -177.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.9 t -98.55 113.22 32.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.05 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.575 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 19.0 m0 -92.03 100.29 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 172.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -97.31 130.21 44.51 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -109.06 109.2 20.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.2 119.13 38.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -81.77 129.88 34.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.13 0.491 . . . . 0.0 110.652 -176.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.6 m -124.55 162.74 23.39 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.29 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.41 68.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 0.0 111.754 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -97.48 2.74 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.1 -169.42 24.73 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.249 -0.976 . . . . 0.0 112.321 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -95.93 119.19 33.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.604 0.24 . . . . 0.0 110.675 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 91.9 t -80.23 103.91 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.319 0.58 . . . . 0.0 109.712 174.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.475 ' SD ' ' HD1' ' A' ' 108' ' ' TRP . 11.6 tmm? -89.06 121.04 31.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.267 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.603 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 71.6 mtp180 -106.2 123.21 47.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.582 0.229 . . . . 0.0 111.451 -177.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.475 ' HD1' ' SD ' ' A' ' 106' ' ' MET . 0.9 OUTLIER -96.0 82.59 3.53 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 169.708 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.4 m -95.19 101.62 13.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.877 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.523 ' HG2' HG22 ' A' ' 93' ' ' ILE . 55.3 mt-30 -103.1 118.05 35.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.989 0.423 . . . . 0.0 110.99 -176.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.506 ' HA ' ' HD2' ' A' ' 4' ' ' HIS . 9.4 m-20 -93.85 98.56 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 54.9 p90 -122.25 156.68 33.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.411 . . . . 0.0 110.626 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.14 121.14 14.63 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.803 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 93.9 mmm -80.33 141.46 35.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 17.6 tptp -131.98 -47.18 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -177.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.434 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 51.1 Cg_exo -58.02 -9.77 6.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.023 1.815 . . . . 0.0 112.99 177.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 66.6 74.14 0.35 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.546 0.688 . . . . 0.0 110.252 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.428 ' HB2' ' HD2' ' A' ' 119' ' ' PRO . . . -91.37 161.32 34.99 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.28 178.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 118' ' ' ALA . 10.5 Cg_endo -55.14 -36.46 93.13 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.716 2.277 . . . . 0.0 111.47 176.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.7 m -75.67 112.98 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.621 0.724 . . . . 0.0 109.888 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -80.11 165.22 22.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.444 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.435 ' HB3' ' CA ' ' A' ' 3' ' ' GLY . 5.8 m-20 -56.54 -36.42 69.22 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.54 84.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -64.72 -41.89 95.65 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.88 0.372 . . . . 0.0 110.068 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.513 ' HE3' ' HZ ' ' A' ' 88' ' ' PHE . 82.7 mmm -65.6 -34.7 78.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.632 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.452 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 88.8 m -57.65 -44.47 85.67 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 110.127 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.1 -44.37 80.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -58.51 -53.18 61.21 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.445 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.45 -42.54 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.677 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -55.58 -51.82 65.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 131' ' ' ARG . 48.3 mtm180 -69.95 -44.34 69.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.31 -178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -62.18 -49.67 74.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.674 0.273 . . . . 0.0 110.84 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.1 m -61.58 -45.43 94.17 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.701 ' HB2' HD22 ' A' ' 7' ' ' ASN . 46.1 ttm180 -58.32 -38.35 76.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.329 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 20.4 m -70.97 -53.49 14.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -67.74 -41.34 83.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.714 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 93.8 mmm -74.16 -20.6 60.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.865 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 141' ' ' ARG . . . -71.74 -37.0 70.62 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 172.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 46.2 tp -60.88 -49.22 78.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.632 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.503 HG22 HD22 ' A' ' 31' ' ' LEU . 65.9 mt -66.03 -37.32 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.367 177.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.47 ' HG3' HG12 ' A' ' 11' ' ' ILE . 44.8 ttt-85 -51.96 -52.55 49.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.494 176.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.37 -46.41 90.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.756 0.312 . . . . 0.0 110.3 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -56.36 -49.06 75.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.104 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.428 HG21 HG23 ' A' ' 18' ' ' VAL . 31.9 mm -61.47 -46.81 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.328 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.97 -37.52 78.84 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.737 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.43 -43.2 98.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.099 0.476 . . . . 0.0 110.069 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.86 67.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.017 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.56 -33.14 68.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.395 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -70.34 -30.99 68.8 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.541 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.804 0.335 . . . . 0.0 110.761 175.242 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.758 0.313 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.76 94.96 2.05 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -86.36 89.07 7.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.441 HG21 HG23 ' A' ' 126' ' ' THR . 6.6 m -97.28 106.79 19.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.275 -175.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -109.14 103.96 13.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.963 0.411 . . . . 0.0 110.577 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.65 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 27.1 m-80 -97.84 99.02 10.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.028 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.902 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 36.1 mt-10 -93.2 123.35 36.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.037 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.1 tt -131.55 138.22 53.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.887 0.375 . . . . 0.0 110.215 173.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.5 m -94.97 109.48 21.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.047 0.451 . . . . 0.0 110.933 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.508 HG12 ' HG3' ' A' ' 141' ' ' ARG . 43.6 mt -97.82 126.3 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.016 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.97 30.87 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.445 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.14 154.18 55.78 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.087 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.545 ' HB2' HD12 ' A' ' 17' ' ' LEU . 47.0 Cg_exo -56.86 139.71 89.88 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.866 2.378 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.72 ' SD ' ' HB2' ' A' ' 99' ' ' GLU . 77.8 mtp -51.72 -47.93 63.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.036 -175.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.51 -33.99 73.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.303 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 14' ' ' PRO . 10.3 mp -71.25 -41.59 69.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.2 -46.74 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.943 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.514 ' HZ2' ' HB2' ' A' ' 71' ' ' ALA . 17.2 t-105 -55.7 -62.44 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.925 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -62.12 -32.83 73.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -172.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.6 mmm -81.62 -41.78 20.99 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -82.47 -27.76 31.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.778 0.323 . . . . 0.0 111.474 -175.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -84.26 -8.63 58.98 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.036 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -82.08 96.61 7.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 40' ' ' VAL . 32.8 pt -65.61 -20.65 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.172 -170.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.77 -11.85 61.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.114 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -100.29 -7.69 24.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.246 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.449 ' HB2' HG22 ' A' ' 38' ' ' VAL . 47.5 m0 -60.68 -43.34 91.85 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.64 -22.53 44.32 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.022 1.815 . . . . 0.0 112.882 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.86 23.24 14.96 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.936 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.541 ' HG ' HG12 ' A' ' 140' ' ' ILE . 59.7 tp -138.76 -53.76 0.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.142 0.496 . . . . 0.0 109.769 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.06 155.38 28.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.678 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -90.36 -34.1 15.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.809 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -86.37 -16.6 36.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -170.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -107.09 125.93 51.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.965 0.412 . . . . 0.0 111.354 -171.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.32 -38.64 11.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.732 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.541 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 40.6 t -140.46 144.34 36.02 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.448 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.477 HG12 ' HB ' ' A' ' 25' ' ' ILE . 68.0 t -139.2 109.51 4.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -107.49 148.49 29.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.034 0.445 . . . . 0.0 111.591 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG22 HD13 ' A' ' 25' ' ' ILE . 42.5 t -85.73 111.95 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.6 tp -85.82 -14.09 46.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.334 0.588 . . . . 0.0 109.948 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.9 156.24 7.56 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.297 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.6 ' HB3' HG22 ' A' ' 48' ' ' VAL . 20.4 ptt180 -150.84 122.14 7.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.331 0.586 . . . . 0.0 111.024 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -134.98 95.76 3.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.757 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t70 65.91 -80.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 O-C-N 124.013 0.821 . . . . 0.0 111.48 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -102.78 -40.25 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.656 0.741 . . . . 0.0 109.374 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -79.54 94.17 5.57 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.525 -170.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.6 HG22 ' HB3' ' A' ' 43' ' ' ARG . 3.2 p -112.9 108.17 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.859 0.838 . . . . 0.0 110.317 173.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.542 HG23 ' HG2' ' A' ' 68' ' ' GLU . 7.2 m -87.1 129.86 34.75 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.055 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -124.51 150.16 46.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.443 0.64 . . . . 0.0 111.456 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -110.43 118.17 35.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.145 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 64' ' ' SER . 47.7 mt -96.99 107.59 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.05 0.452 . . . . 0.0 110.715 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 27.3 m -109.11 125.69 52.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.517 -174.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.647 ' HE2' ' HH2' ' A' ' 65' ' ' TRP . 41.2 mtt -97.84 -175.07 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.024 174.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -69.04 149.4 97.79 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.015 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.479 ' HB3' HG23 ' A' ' 62' ' ' VAL . 18.0 Cg_endo -60.62 123.92 14.01 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.722 2.281 . . . . 0.0 111.434 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.47 163.9 19.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.846 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.01 -16.68 60.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -78.07 -2.32 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.214 0.53 . . . . 0.0 110.376 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.96 29.47 46.61 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.745 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -128.59 130.22 47.04 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 56' ' ' PRO . 26.3 t -88.66 124.68 41.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.088 -178.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -87.21 102.03 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.275 0.56 . . . . 0.0 110.461 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 34.7 t -136.79 116.42 12.95 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.96 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.647 ' HH2' ' HE2' ' A' ' 54' ' ' MET . 43.6 p90 -111.95 161.75 16.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.094 0.473 . . . . 0.0 110.659 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.8 t -104.56 138.11 30.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.868 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.1 m -144.95 158.93 43.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.542 ' HG2' HG23 ' A' ' 49' ' ' THR . 19.7 mt-10 -123.0 134.64 54.31 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.448 -175.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.516 ' HB3' HG12 ' A' ' 48' ' ' VAL . 42.8 ttt-85 -107.86 126.45 52.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.891 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.0 t -119.1 100.67 10.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 172.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HB2' ' HZ2' ' A' ' 19' ' ' TRP . . . -98.36 105.57 17.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.726 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -80.02 111.66 23.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.15 -19.63 19.89 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.942 2.428 . . . . 0.0 112.904 -174.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.24 -51.21 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.025 0.441 . . . . 0.0 110.555 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -84.98 -11.42 55.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.346 0.593 . . . . 0.0 110.124 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 58.04 51.21 9.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.396 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.5 m -129.84 125.18 35.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.047 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.554 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 24.6 t -104.63 108.82 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.82 0.343 . . . . 0.0 110.704 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -100.87 109.19 21.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.976 0.417 . . . . 0.0 110.353 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' A' ' 68' ' ' GLU . . . -111.85 107.76 16.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -86.64 141.7 28.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.929 0.395 . . . . 0.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.519 ' HB3' ' HB3' ' A' ' 91' ' ' MET . 23.5 ttt180 -91.73 122.38 34.23 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.4 t -83.13 -56.87 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.82 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 10.8 mm-40 -75.25 123.97 26.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.923 0.392 . . . . 0.0 110.681 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.616 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 35.1 p -76.35 -88.09 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -170.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.2 -123.6 7.67 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -174.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -72.52 -15.97 27.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 111.791 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.616 ' O ' ' HB ' ' A' ' 85' ' ' THR . 71.3 m-85 -103.78 160.19 14.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.195 -177.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -93.61 -41.95 9.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.482 0.658 . . . . 0.0 109.644 174.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -151.82 152.19 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.397 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.519 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 51.0 ttm -152.43 118.31 5.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.79 0.328 . . . . 0.0 110.542 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -116.33 109.13 16.96 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.526 HG12 ' HG3' ' A' ' 110' ' ' GLN . 28.4 mt -93.95 103.7 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 110.494 -176.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.475 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 40.9 t -100.07 114.97 40.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.554 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 48.1 m0 -92.75 100.5 12.98 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.664 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.5 tt0 -94.98 109.69 21.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.037 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -92.54 111.2 22.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.216 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -119.41 109.16 15.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.764 0.316 . . . . 0.0 110.63 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.72 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 37.0 tt0 -67.61 128.31 36.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.066 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.5 m -129.2 165.42 21.37 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.1 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.44 -30.69 30.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -96.36 2.67 52.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.8 0.333 . . . . 0.0 111.553 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.87 -170.21 21.76 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.398 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.0 m -81.87 111.04 17.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.857 0.36 . . . . 0.0 110.627 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.4 t -86.84 110.82 20.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 33.7 ttp -100.67 118.2 36.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.279 0.562 . . . . 0.0 109.977 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.902 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 94.5 mtt180 -95.62 109.73 21.94 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.156 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.65 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 4.8 m95 -84.2 79.13 9.64 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.885 174.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.475 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 9.2 m -83.13 90.05 7.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.997 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.526 ' HG3' HG12 ' A' ' 93' ' ' ILE . 34.1 tt0 -91.04 99.11 12.2 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -93.38 98.85 11.49 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.659 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -120.38 159.95 24.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.112 0.482 . . . . 0.0 110.885 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.96 123.77 28.04 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.738 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 49.9 mtp -98.01 144.93 27.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.978 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.458 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 44.5 mmtm -145.81 -47.01 0.02 OUTLIER Pre-proline 0 C--N 1.318 -0.764 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.211 -172.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.458 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 47.1 Cg_exo -43.05 158.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.426 1.418 . . . . 0.0 111.899 166.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.63 32.42 0.2 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.612 -168.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 116' ' ' PRO . . . -57.88 143.93 75.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.641 175.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 12.3 Cg_exo -71.49 6.62 1.83 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.18 2.587 . . . . 0.0 113.218 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 124' ' ' TRP . 24.1 m -117.97 135.77 57.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.6 74.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.254 -173.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 62.39 -77.1 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.903 0.752 . . . . 0.0 112.047 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.447 ' O ' ' HB ' ' A' ' 126' ' ' THR . . . -64.13 -20.08 65.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -170.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.402 ' HB3' ' HB ' ' A' ' 120' ' ' VAL . 31.9 t-105 -61.84 -51.34 68.62 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.526 0.679 . . . . 0.0 109.737 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 66.6 mtp -70.62 -27.19 63.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.08 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.447 ' HB ' ' O ' ' A' ' 123' ' ' ALA . 52.8 m -52.34 -46.04 65.9 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 173.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.13 -41.82 81.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.515 ' HA ' ' HD3' ' A' ' 131' ' ' ARG . 65.6 t30 -68.89 -33.33 73.6 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.095 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 73.4 mt -65.48 -40.59 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.401 176.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.559 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 60.3 t30 -56.81 -40.71 76.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.268 0.556 . . . . 0.0 109.841 175.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.515 ' HD3' ' HA ' ' A' ' 128' ' ' ASN . 41.8 mtp85 -61.45 -56.85 15.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.292 177.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.0 -48.01 80.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.972 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.3 m -62.31 -46.45 88.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.186 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 134' ' ' ARG . 12.5 ttp180 -57.84 -40.61 80.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.396 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.1 m -68.14 -51.6 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -65.46 -46.7 78.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.356 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.432 ' SD ' HD12 ' A' ' 140' ' ' ILE . 76.6 mmm -70.99 -25.43 62.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.28 -175.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.55 -43.96 75.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.79 -42.86 98.39 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.945 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.541 HG12 ' HG ' ' A' ' 31' ' ' LEU . 80.6 mt -65.86 -47.35 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.792 176.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.508 ' HG3' HG12 ' A' ' 11' ' ' ILE . 59.5 ttp85 -52.93 -45.39 67.62 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.184 0.302 . . . . 0.0 110.989 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -51.77 66.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.151 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 143' ' ' ARG . 13.6 ttm180 -68.92 -38.56 79.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 16.6 mm -60.22 -47.53 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.041 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -62.97 -40.55 98.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 0.0 110.071 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -64.8 -48.1 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.909 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.99 98.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.263 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.38 69.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.648 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -76.0 -45.57 15.78 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.073 175.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--N 1.332 -0.166 0 C-N-CA 121.942 0.097 . . . . 0.0 110.902 -179.599 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 112' ' ' PHE . . . . . . . . 0 C--O 1.234 0.273 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.71 151.69 16.94 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.357 -176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -109.49 90.57 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.705 HG22 HG23 ' A' ' 126' ' ' THR . 27.1 m -81.29 116.51 21.19 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.777 -177.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -101.82 129.12 47.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.086 0.47 . . . . 0.0 110.819 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -123.28 97.05 5.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.807 170.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.854 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 40.7 mt-10 -91.51 113.24 25.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -178.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.4 tt -120.62 125.95 74.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.185 0.517 . . . . 0.0 110.341 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.9 m -85.48 117.98 24.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.757 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.408 HG12 ' HG3' ' A' ' 141' ' ' ARG . 44.7 mt -102.69 131.69 50.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.22 18.65 2.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.036 0.446 . . . . 0.0 111.242 -174.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.85 146.0 31.7 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.881 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.9 147.08 94.11 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.92 2.414 . . . . 0.0 112.197 177.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.468 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 84.8 mtp -64.63 -25.77 68.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.558 -174.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -51.37 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.408 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.512 ' HG ' ' HA ' ' A' ' 148' ' ' ALA . 2.8 tm? -67.35 -46.19 74.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.764 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -57.28 -45.65 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.534 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -66.56 -47.37 73.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.915 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -70.78 -27.58 64.02 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.229 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 tpt -75.28 -36.12 61.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.99 0.424 . . . . 0.0 110.627 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.5 p -82.49 -28.69 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -78.02 -28.69 49.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.368 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.518 ' OD2' ' HG3' ' A' ' 27' ' ' LYS . 15.7 t70 -84.88 84.13 7.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.531 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 17.0 pt -71.97 -8.16 10.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.258 -170.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.88 -6.46 54.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.045 0.45 . . . . 0.0 110.647 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HG3' ' OD2' ' A' ' 24' ' ' ASP . 63.9 mttp -96.64 -9.62 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.545 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 40.0 m0 -57.82 -45.92 99.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.4 Cg_endo -59.87 -10.03 11.17 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.112 1.875 . . . . 0.0 113.427 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.07 -8.33 41.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.35 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.31 -36.53 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.691 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.81 132.66 43.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.948 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -83.66 -25.31 30.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.911 -175.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.43 -30.27 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -103.37 118.4 36.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.743 0.306 . . . . 0.0 110.832 -173.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.78 -28.2 50.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.265 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 t -153.98 149.01 26.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.486 177.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.528 HG13 ' HB ' ' A' ' 25' ' ' ILE . 94.8 t -124.75 99.87 6.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -100.12 117.68 34.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.499 -171.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.511 HG22 HD11 ' A' ' 25' ' ' ILE . 23.7 t -68.07 115.8 6.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.676 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.0 tp -79.43 -40.37 30.12 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.62 156.05 27.44 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.858 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -123.13 106.08 10.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.513 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 20.3 t70 -89.11 161.52 16.47 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 171.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.66 -42.9 17.12 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -127.42 7.69 6.43 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.516 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.752 ' HG2' HG22 ' A' ' 70' ' ' VAL . 59.8 mttp -132.95 110.47 10.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 110.966 -176.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.454 HG12 HH21 ' A' ' 69' ' ' ARG . 7.4 p -102.18 119.78 50.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.478 0.656 . . . . 0.0 110.54 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.4 m -100.3 120.28 39.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.007 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.414 ' HB3' HD13 ' A' ' 25' ' ' ILE . 33.1 p90 -126.07 157.32 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.296 0.57 . . . . 0.0 111.758 -177.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.609 ' HG2' ' HB2' ' A' ' 64' ' ' SER . 61.7 ttt180 -112.04 113.4 25.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.174 177.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.73 ' O ' ' HA ' ' A' ' 64' ' ' SER . 96.3 mt -81.24 104.9 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.5 m -101.51 128.61 47.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.42 -174.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 38.8 mtt -108.18 -171.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.513 . . . . 0.0 110.96 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -77.77 121.34 84.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.652 176.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.527 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 74.4 Cg_exo -50.52 141.22 34.04 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.032 2.488 . . . . 0.0 112.763 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -89.54 -173.34 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.044 0.449 . . . . 0.0 111.544 -173.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.78 72.04 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.346 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -73.98 -18.42 60.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 110.621 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.96 16.76 34.63 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.807 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 37.3 mtmm -87.61 142.36 27.9 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.823 0.312 . . . . 0.0 110.484 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.18 101.89 13.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 175.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -70.1 93.08 0.78 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.297 0.57 . . . . 0.0 110.099 -173.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.73 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 9.1 p -140.58 114.5 9.0 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.605 -175.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.3 p90 -113.08 153.41 28.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.216 0.532 . . . . 0.0 111.2 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.07 129.79 43.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.847 -176.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.1 m -134.94 133.42 39.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.149 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -102.05 128.53 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.803 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.454 HH21 HG12 ' A' ' 48' ' ' VAL . 58.0 ttp85 -122.03 120.29 33.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.962 0.41 . . . . 0.0 111.371 -174.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.752 HG22 ' HG2' ' A' ' 47' ' ' LYS . 29.7 t -104.74 127.1 59.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.566 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.79 104.85 14.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.715 0.293 . . . . 0.0 110.833 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -97.29 108.57 45.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.995 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.43 -15.4 19.83 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.957 2.438 . . . . 0.0 112.938 -176.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.5 t -77.7 -50.35 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.359 0.599 . . . . 0.0 109.959 -177.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.4 p -86.32 -6.77 58.88 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.859 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? 58.99 29.81 19.46 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.035 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.8 m -115.0 115.63 27.17 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.14 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.561 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 53.3 t -92.91 113.8 28.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.23 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -106.72 113.76 27.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.329 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -119.49 117.29 28.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.715 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -99.93 128.13 46.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.146 0.498 . . . . 0.0 110.246 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 -93.77 100.46 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.851 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.6 -45.44 74.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.239 0.543 . . . . 0.0 110.161 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -93.04 104.9 17.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.059 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.624 HG23 ' HB2' ' A' ' 88' ' ' PHE . 11.5 m -129.96 148.55 51.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.443 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.5 -102.52 0.87 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.256 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.51 -6.23 17.97 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.024 2.482 . . . . 0.0 113.644 -174.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.624 ' HB2' HG23 ' A' ' 85' ' ' THR . 72.4 m-85 -98.27 160.32 14.37 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -85.61 -46.11 11.1 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -154.99 144.91 21.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.675 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 85.2 mtp -132.72 123.68 26.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 110.701 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.74 ' HB3' ' HB3' ' A' ' 111' ' ' ASP . 40.6 t30 -108.79 115.73 30.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.716 178.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.4 ' HB ' ' HB1' ' A' ' 80' ' ' ALA . 43.7 mt -103.6 112.13 35.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.87 0.367 . . . . 0.0 110.667 -175.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 77.1 t -115.44 118.93 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.561 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 47.1 m0 -107.22 107.67 18.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 43.5 mt-10 -105.96 121.09 43.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.883 0.373 . . . . 0.0 110.923 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -100.43 116.96 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.515 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.64 130.49 54.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.926 0.393 . . . . 0.0 111.23 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.468 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 43.2 mt-10 -73.01 115.55 12.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.492 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.8 m -123.69 156.75 35.35 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.17 -7.59 53.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.922 0.391 . . . . 0.0 111.864 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.4 -4.9 14.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.258 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.7 -169.39 29.88 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.493 -0.861 . . . . 0.0 112.56 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.2 m -97.07 112.99 24.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.5 t -89.68 112.84 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.408 ' HE3' ' HE2' ' A' ' 137' ' ' MET . 44.1 ttp -97.43 120.43 37.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.208 0.528 . . . . 0.0 110.567 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.854 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 74.2 mtt180 -93.05 104.97 17.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.108 178.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -85.07 87.44 7.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.733 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 5' ' ' THR . 26.4 m -97.37 105.34 17.47 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.614 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -102.11 109.6 21.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.267 0.556 . . . . 0.0 110.286 177.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.74 ' HB3' ' HB3' ' A' ' 92' ' ' ASN . 11.6 t70 -89.23 112.82 23.95 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.04 177.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.573 ' HD2' ' HG3' ' A' ' 114' ' ' MET . 45.7 p90 -113.61 129.18 56.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.114 0.483 . . . . 0.0 111.321 -174.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -111.22 108.48 18.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.435 173.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.573 ' HG3' ' HD2' ' A' ' 112' ' ' PHE . 64.1 mtp -106.46 159.58 16.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.162 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.56 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 86.8 tttt -169.31 -57.79 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.431 0 CA-C-O 119.049 -0.5 . . . . 0.0 112.216 -175.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 67.0 Cg_exo -39.29 -76.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 123.33 2.687 . . . . 0.0 115.084 -170.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -153.12 68.55 0.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.198 0.523 . . . . 0.0 109.606 -174.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -107.01 108.37 61.91 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.817 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.09 -5.88 15.43 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.7 2.266 . . . . 0.0 111.306 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.44 HG13 ' HD1' ' A' ' 124' ' ' TRP . 27.3 m -87.46 139.84 16.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.259 177.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.53 160.35 19.0 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.75 -35.94 57.06 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.33 93.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.628 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . 0.44 ' HD1' HG13 ' A' ' 120' ' ' VAL . 43.0 t-105 -74.27 -35.33 63.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.987 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.531 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 84.1 mmm -65.47 -54.37 29.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.629 176.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.705 HG23 HG22 ' A' ' 5' ' ' THR . 88.6 m -57.15 -37.26 71.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.117 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.27 -53.94 45.1 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.809 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -65.91 -43.19 88.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.181 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.542 ' HB ' HG21 ' A' ' 5' ' ' THR . 75.8 mt -59.78 -52.09 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.638 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.66 -38.34 84.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.026 0.441 . . . . 0.0 110.722 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -66.5 -54.54 22.75 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.342 0.591 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -68.91 -44.38 73.25 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.186 -176.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.8 m -58.97 -39.95 83.29 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.128 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.27 -49.02 79.26 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.145 176.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.2 m -66.25 -44.77 82.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.307 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -67.45 -43.89 79.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.952 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.586 ' SD ' HD13 ' A' ' 140' ' ' ILE . 92.6 mmm -78.98 -13.57 59.71 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.038 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.86 -44.51 76.95 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.522 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 63.0 tp -55.7 -48.83 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.786 174.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.586 HD13 ' SD ' ' A' ' 137' ' ' MET . 55.2 mt -68.18 -37.56 78.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.334 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.408 ' HG3' HG12 ' A' ' 11' ' ' ILE . 66.3 ttt180 -53.59 -51.93 61.42 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.699 0.285 . . . . 0.0 110.892 176.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.37 -22.81 64.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.404 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 12.2 mmt180 -72.65 -43.13 63.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 140' ' ' ILE . 40.9 mm -60.98 -53.09 53.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.524 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -66.8 -24.86 66.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -70.47 -45.76 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 174.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.39 76.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.669 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.512 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -66.01 -38.11 87.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -72.74 -27.25 69.5 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.567 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.359 0.6 . . . . 0.0 109.627 177.758 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.49 106.53 3.26 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.371 -176.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -106.52 90.35 3.31 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.585 ' HG1' ' HE1' ' A' ' 112' ' ' PHE . 4.6 m -104.49 104.26 14.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.837 0.351 . . . . 0.0 110.962 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 33.1 t70 -106.46 102.61 11.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.107 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -108.13 111.18 23.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.226 0.536 . . . . 0.0 111.058 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.684 ' HG2' ' HD2' ' A' ' 107' ' ' ARG . 15.9 mt-10 -101.03 127.02 47.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.706 -175.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.406 HG23 ' HB3' ' A' ' 137' ' ' MET . 12.5 tt -131.28 125.84 57.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.414 0.626 . . . . 0.0 110.752 174.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 6.0 m -82.25 121.59 26.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.688 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.478 HG21 ' HG3' ' A' ' 141' ' ' ARG . 56.8 mt -104.08 127.4 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.416 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.53 70.28 10.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.232 0.539 . . . . 0.0 110.543 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.89 152.92 24.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.228 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.482 ' O ' HG22 ' A' ' 18' ' ' VAL . 31.2 Cg_endo -64.19 141.24 75.06 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.819 2.346 . . . . 0.0 112.416 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 86.5 mtp -59.76 -26.48 65.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.139 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -46.29 -64.4 0.76 Allowed 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.896 0.747 . . . . 0.0 111.338 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.529 ' HA ' HG23 ' A' ' 20' ' ' THR . 29.9 tp -76.86 -34.76 57.8 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.863 -174.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 14' ' ' PRO . 66.2 t -54.95 -55.47 15.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.742 0.306 . . . . 0.0 110.615 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.3 t-105 -64.66 -47.99 76.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.001 -176.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.529 HG23 ' HA ' ' A' ' 17' ' ' LEU . 4.0 t -70.3 -24.48 63.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.864 -172.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.7 ttm -87.68 -41.57 13.27 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.275 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.6 p -67.48 -29.23 68.62 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.307 0.575 . . . . 0.0 110.62 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -78.96 -22.63 45.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.614 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.43 89.8 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.552 0.691 . . . . 0.0 109.457 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.547 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 24.7 pt -73.24 -16.08 17.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.303 -172.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.55 -17.78 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.61 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -114.95 13.86 17.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.039 0.447 . . . . 0.0 110.901 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.547 ' CZ2' HG21 ' A' ' 25' ' ' ILE . 22.4 m0 -57.57 -48.1 97.83 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 33.7 Cg_endo -64.29 -1.07 3.34 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.192 1.928 . . . . 0.0 113.303 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -92.98 -24.25 23.18 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.668 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.28 -36.08 5.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.033 0.444 . . . . 0.0 110.632 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.628 ' HE1' ' HB3' ' A' ' 136' ' ' GLN . 3.8 t80 -106.9 130.07 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.162 -175.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 p -92.08 -1.21 57.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -170.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -90.34 -29.02 18.34 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -172.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -104.24 137.51 42.05 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.861 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.2 -44.76 11.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.379 -178.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -141.4 132.1 25.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.756 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.523 HG11 ' HB ' ' A' ' 25' ' ' ILE . 90.5 t -112.29 107.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 173.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -116.1 133.34 56.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.95 0.405 . . . . 0.0 111.695 -170.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG21 HD12 ' A' ' 25' ' ' ILE . 21.3 t -84.34 115.23 26.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 51' ' ' ARG . 77.7 mt -89.65 -38.05 14.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.002 0.429 . . . . 0.0 110.429 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.22 165.23 38.46 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -142.38 170.87 14.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 117.758 0.779 . . . . 0.0 110.718 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.779 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 15.0 m-20 -130.64 179.21 6.08 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 170.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.25 -34.58 68.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.754 0.311 . . . . 0.0 111.133 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -124.46 11.84 8.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.199 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.779 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -125.25 150.64 46.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.779 0.323 . . . . 0.0 111.269 -174.106 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.5 p -132.88 112.56 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.598 167.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.502 HG21 ' HG2' ' A' ' 68' ' ' GLU . 21.6 m -98.0 105.3 17.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.824 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -121.74 160.98 23.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.094 0.473 . . . . 0.0 111.39 -174.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.513 ' HB2' HD13 ' A' ' 41' ' ' LEU . 47.3 ttp180 -106.88 121.28 44.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.563 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.502 HD22 ' HZ3' ' A' ' 28' ' ' TRP . 27.4 mt -84.69 96.83 9.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.996 176.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.9 m -87.35 96.5 10.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.433 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.5 ttt -81.82 164.31 21.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.674 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -53.1 128.71 48.69 Favored Pre-proline 0 N--CA 1.463 0.205 0 CA-C-O 120.931 0.396 . . . . 0.0 111.215 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.801 ' HB3' HG21 ' A' ' 62' ' ' VAL . 36.2 Cg_endo -65.43 134.24 37.86 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.989 2.459 . . . . 0.0 112.746 -177.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.17 165.67 23.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.578 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.39 -24.21 67.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.961 0.41 . . . . 0.0 110.72 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.02 -24.04 65.87 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.113 173.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.88 63.23 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -172.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -75.35 108.83 8.4 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.952 0.406 . . . . 0.0 110.164 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.801 HG21 ' HB3' ' A' ' 56' ' ' PRO . 15.4 t -90.75 110.62 22.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -74.55 96.26 2.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.308 0.575 . . . . 0.0 110.471 -174.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 6.6 m -119.51 111.73 18.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.703 -177.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.469 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 48.0 p90 -124.76 149.84 46.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.5 t -89.97 132.7 33.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.763 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -138.84 142.21 38.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.502 ' HG2' HG21 ' A' ' 49' ' ' THR . 42.3 mt-10 -107.84 131.7 54.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.805 0.336 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.491 ' HD2' HG11 ' A' ' 78' ' ' VAL . 47.9 ttp180 -121.34 136.94 54.9 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.455 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 1.9 m -110.66 137.63 42.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.421 174.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.78 96.49 5.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.959 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.26 107.92 49.99 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.402 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.5 -21.33 46.58 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.889 2.393 . . . . 0.0 112.387 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.06 -55.22 20.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.7 p -89.52 -3.33 58.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.174 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 76' ' ' ARG . 64.6 mtt85 59.05 33.44 22.95 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.428 0.632 . . . . 0.0 110.043 -176.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.461 HG22 HG11 ' A' ' 94' ' ' VAL . 98.3 m -113.65 115.39 27.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.963 -177.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.491 HG11 ' HD2' ' A' ' 69' ' ' ARG . 23.7 t -111.16 94.21 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.284 175.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -108.26 138.39 44.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.025 0.44 . . . . 0.0 111.42 -173.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . . . -114.7 121.56 43.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.289 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -95.04 117.12 29.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.553 0.692 . . . . 0.0 110.31 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.607 ' HB3' ' HB2' ' A' ' 91' ' ' MET . 75.3 ttt180 -90.67 95.88 10.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.576 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.56 -46.22 49.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.55 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.469 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 32.4 mt-10 -86.66 102.75 14.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.738 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.701 HG23 ' HB2' ' A' ' 88' ' ' PHE . 4.0 m -141.08 139.08 33.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 178.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.36 -72.9 1.24 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.986 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 88' ' ' PHE . 58.0 Cg_endo -73.14 -4.13 14.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.636 2.224 . . . . 0.0 113.62 -176.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.701 ' HB2' HG23 ' A' ' 85' ' ' THR . 73.3 m-85 -120.55 155.02 34.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -84.4 -47.38 10.73 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 91.6 t80 -149.73 137.56 20.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.922 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.607 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 80.2 mtp -129.47 115.51 17.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.726 0.298 . . . . 0.0 110.628 177.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.481 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 30.6 t30 -110.09 106.35 15.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.013 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.506 HG21 ' HG2' ' A' ' 110' ' ' GLN . 53.5 mt -98.46 101.8 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.003 0.43 . . . . 0.0 110.295 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 85.0 t -93.75 116.81 35.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.198 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -95.03 94.65 8.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -97.26 130.55 44.45 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -103.71 118.3 36.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.052 0.453 . . . . 0.0 110.376 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' A' ' 105' ' ' VAL . . . -106.14 147.84 28.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.362 -176.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -77.99 135.84 37.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.457 ' HB ' ' O ' ' A' ' 103' ' ' GLY . 10.5 m -146.68 156.28 43.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 173.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.32 -11.54 57.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.347 -175.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -115.08 10.12 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.431 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.457 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 150.27 -169.37 30.26 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.001 -1.095 . . . . 0.0 112.834 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 m -107.71 120.04 41.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.507 ' HB ' ' HB1' ' A' ' 98' ' ' ALA . 70.0 t -86.09 116.2 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.965 0.412 . . . . 0.0 110.427 179.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 45.8 ttp -98.43 115.41 28.44 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.684 ' HD2' ' HG2' ' A' ' 8' ' ' GLU . 25.4 mtm180 -108.68 112.75 25.22 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.282 -173.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -89.46 89.91 8.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.009 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.573 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 4.0 m -87.99 92.85 9.29 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.644 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.506 ' HG2' HG21 ' A' ' 93' ' ' ILE . 54.5 mt-30 -90.1 98.22 11.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -98.53 104.31 16.33 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.003 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.585 ' HE1' ' HG1' ' A' ' 5' ' ' THR . 52.1 p90 -127.27 148.05 50.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.517 0.675 . . . . 0.0 111.826 -173.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.92 127.05 53.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.991 177.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.425 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 68.4 mtp -109.38 141.17 42.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.097 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 14.0 mmmm -150.86 -48.87 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.53 -173.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 2.3 Cg_endo -43.89 164.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 122.86 2.373 . . . . 0.0 113.061 168.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -84.07 35.7 0.54 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.741 0.781 . . . . 0.0 110.775 -170.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.84 137.63 83.14 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.23 177.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.26 -43.23 36.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.107 2.538 . . . . 0.0 113.006 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.0 m -87.36 141.55 14.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.148 0.499 . . . . 0.0 110.784 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -89.27 175.8 7.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.831 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.46 -30.88 71.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.086 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.16 97.23 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.812 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -62.05 -42.19 98.92 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.198 0.523 . . . . 0.0 110.18 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.598 ' HE3' ' HZ ' ' A' ' 88' ' ' PHE . 86.8 mmm -65.71 -50.34 65.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.35 -177.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.473 HG22 HG23 ' A' ' 5' ' ' THR . 93.8 m -54.34 -41.68 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.73 -45.73 77.75 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.694 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -65.62 -39.84 91.91 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 125' ' ' MET . 85.2 mt -63.73 -39.57 85.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.5 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.366 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -58.68 -45.85 88.52 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.186 0.517 . . . . 0.0 110.57 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -67.37 -45.87 75.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.37 0.605 . . . . 0.0 110.554 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.14 -44.81 87.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.372 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 137' ' ' MET . 55.0 p -62.47 -52.68 62.54 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.725 -178.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -49.66 -44.41 47.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.666 0.269 . . . . 0.0 111.264 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 21.8 m -68.39 -55.05 13.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.625 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.628 ' HB3' ' HE1' ' A' ' 32' ' ' PHE . 82.7 mm-40 -70.56 -43.55 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.474 -174.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.49 ' HB2' ' O ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -63.94 -33.58 76.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.635 -178.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.25 91.95 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.702 0.287 . . . . 0.0 110.273 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.75 -48.99 79.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.642 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.423 ' O ' HG12 ' A' ' 144' ' ' ILE . 74.8 mt -65.66 -45.13 93.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.98 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.478 ' HG3' HG21 ' A' ' 11' ' ' ILE . 52.2 ttt180 -53.93 -48.52 70.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.421 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -56.26 -38.55 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.975 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 143' ' ' ARG . 8.9 mmt180 -69.41 -42.33 75.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.126 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.469 HG22 HG23 ' A' ' 18' ' ' VAL . 47.1 mm -59.34 -49.37 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.06 0.457 . . . . 0.0 110.477 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.94 -41.59 97.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.792 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -60.4 -50.81 72.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.419 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.99 88.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.39 94.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.466 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -75.28 -19.22 79.74 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.404 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.71 0.291 . . . . 0.0 110.848 177.226 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.26 138.01 15.53 Favored Glycine 0 N--CA 1.442 -0.931 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -120.23 87.76 2.81 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.49 ' HG1' ' HE1' ' A' ' 112' ' ' PHE . 19.2 m -83.72 99.02 9.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.969 0.414 . . . . 0.0 110.185 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -94.97 95.5 8.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.445 -177.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -97.04 98.47 10.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.99 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.809 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 47.4 mt-10 -89.23 117.32 28.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.74 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 tt -125.27 132.22 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.067 0.461 . . . . 0.0 110.089 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.6 m -93.68 136.81 33.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.795 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.7 mt -119.24 134.2 63.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.14 18.52 1.36 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.002 0.429 . . . . 0.0 112.0 -174.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.38 142.43 24.6 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.502 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.427 ' O ' HG22 ' A' ' 18' ' ' VAL . 31.9 Cg_exo -58.96 141.76 98.59 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.779 2.319 . . . . 0.0 111.918 177.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.425 ' HE2' ' HB3' ' A' ' 15' ' ' MET . 55.2 mtp -56.4 -28.53 59.61 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -173.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' HG3' ' H ' ' A' ' 17' ' ' LEU . 8.6 pt-20 -55.34 -61.32 2.41 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.988 0.18 . . . . 0.0 111.416 -178.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.601 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 35.8 tp -66.26 -35.8 81.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.651 0.205 . . . . 0.0 110.994 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 14' ' ' PRO . 96.8 t -53.02 -59.08 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 121.374 -0.13 . . . . 0.0 110.965 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -63.05 -40.25 97.16 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.601 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 11.5 m -52.29 -34.36 46.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.945 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.4 mmm -89.8 -45.08 9.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.519 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.1 p -77.57 -21.54 52.32 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -64.68 -42.73 95.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 110.599 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.565 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 66.0 t0 -77.99 109.33 11.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.059 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.558 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 26.4 pt -74.74 -12.98 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.558 -175.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.68 -6.8 59.57 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.15 0.5 . . . . 0.0 110.309 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.565 ' HD2' ' HB3' ' A' ' 24' ' ' ASP . 48.1 mttp -96.46 -11.82 25.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.554 176.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.565 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 43.2 m0 -57.58 -45.24 99.87 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -176.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 14.9 Cg_endo -57.75 -18.51 34.15 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.171 1.914 . . . . 0.0 113.082 178.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.15 -21.3 25.54 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.016 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 mp -95.46 -52.47 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.687 0.28 . . . . 0.0 110.934 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 34' ' ' GLU . 24.4 t80 -96.42 107.66 20.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.1 m -84.91 55.37 3.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.903 -172.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 33.3 tt0 -148.51 -11.99 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -102.17 126.37 49.12 Favored 'General case' 0 CA--C 1.52 -0.207 0 O-C-N 121.666 -0.646 . . . . 0.0 110.64 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.63 -44.87 18.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.704 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.55 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 49.7 m -130.75 131.57 44.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.304 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.0 t -111.98 99.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 170.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.596 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 34.5 mt-10 -94.25 110.91 22.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.915 -171.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 t -76.48 99.47 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.386 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -77.02 -43.35 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.33 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.81 -164.0 37.6 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.837 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.548 ' HB3' HG23 ' A' ' 48' ' ' VAL . 42.2 ptt85 -166.64 161.52 15.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.836 0.35 . . . . 0.0 110.636 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -130.98 90.9 2.96 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 61.01 -83.94 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.212 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -102.48 -25.18 13.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.028 0.442 . . . . 0.0 111.074 -175.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -96.06 112.17 23.98 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.423 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 43' ' ' ARG . 11.1 p -99.48 145.4 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.276 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.5 m -122.33 119.48 31.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 26.8 p90 -133.62 166.6 22.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.641 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.596 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 50.7 ttt180 -119.81 117.98 29.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.639 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 64' ' ' SER . 94.9 mt -93.06 117.88 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.218 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.55 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 91.4 m -121.24 128.41 52.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.566 -175.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 46.7 mtt -105.46 -169.77 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.773 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -58.95 157.18 21.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.911 171.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' A' ' 62' ' ' VAL . 56.4 Cg_endo -71.64 159.83 49.93 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.306 2.004 . . . . 0.0 112.234 175.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -83.23 -171.79 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.72 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.56 -34.77 58.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.029 0.442 . . . . 0.0 110.681 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.486 ' CG ' ' HZ3' ' A' ' 61' ' ' LYS . 10.0 p-10 -86.17 -21.2 27.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.39 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.27 -3.48 6.74 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.361 -0.923 . . . . 0.0 113.659 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HZ3' ' CG ' ' A' ' 59' ' ' ASP . 49.7 mttp -63.03 110.26 1.75 Allowed 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 117.561 0.68 . . . . 0.0 110.43 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.54 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 7.1 p -80.71 118.89 29.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 173.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -76.16 89.62 3.08 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.764 0.793 . . . . 0.0 110.932 -171.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 25.3 t -123.8 139.64 53.78 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.061 -1.427 . . . . 0.0 109.661 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.454 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 14.2 p90 -148.46 133.27 17.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.233 0.54 . . . . 0.0 111.636 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.3 t -73.21 126.4 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.277 175.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.525 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 15.0 m -128.07 143.15 51.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.217 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -113.58 128.06 56.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.266 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.439 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 48.0 ttp180 -117.45 118.14 31.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.824 0.345 . . . . 0.0 111.523 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.78 109.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.44 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.17 110.38 20.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.672 0.272 . . . . 0.0 111.248 -176.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -103.97 108.19 59.16 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.854 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.78 -35.89 34.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 123.036 2.49 . . . . 0.0 112.974 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 t -72.88 -40.66 60.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.159 0.504 . . . . 0.0 110.796 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.1 m -82.38 -12.75 57.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.168 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 59.97 33.08 21.39 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.56 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.491 HG23 ' HG2' ' A' ' 96' ' ' GLU . 29.8 m -129.76 124.77 34.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.586 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.53 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 47.8 t -116.96 124.53 73.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -109.06 112.9 25.33 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.04 104.34 11.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.985 0.421 . . . . 0.0 110.918 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -102.32 142.14 34.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.399 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -106.1 105.21 15.14 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.237 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.8 t -57.1 -43.81 82.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.36 0.6 . . . . 0.0 109.587 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 39.2 mt-10 -91.64 97.39 11.0 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 170.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.755 HG22 ' HB2' ' A' ' 88' ' ' PHE . 4.4 m -86.8 -25.96 24.34 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -174.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.426 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 97.6 -127.59 9.27 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.102 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.426 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 3.0 Cg_exo -76.78 -8.93 18.22 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.197 2.598 . . . . 0.0 112.263 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.755 ' HB2' HG22 ' A' ' 85' ' ' THR . 46.1 m-85 -83.91 172.33 12.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.765 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 113' ' ' ALA . 58.0 tt0 -92.54 -43.34 9.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.163 0.506 . . . . 0.0 109.988 178.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.602 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 39.0 t80 -159.43 148.32 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.58 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.429 ' HB3' HG21 ' A' ' 85' ' ' THR . 53.0 ttm -157.1 127.08 6.29 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.015 0.436 . . . . 0.0 111.5 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -132.92 117.56 17.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.489 175.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.533 HG12 ' HG3' ' A' ' 110' ' ' GLN . 19.6 mt -95.05 118.48 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.575 -175.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 43.1 t -103.63 118.89 51.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.747 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 40.5 m0 -99.17 101.64 13.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 77' ' ' THR . 41.1 mt-10 -103.28 112.68 25.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.966 0.413 . . . . 0.0 110.47 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -90.45 118.68 30.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.435 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.412 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . . . -108.17 108.98 20.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.39 104.54 2.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.5 m -122.11 162.05 21.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.906 -175.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.48 -21.61 63.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.235 0.541 . . . . 0.0 110.331 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.65 -18.46 62.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.794 175.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.52 -169.0 20.86 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -174.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.6 m -81.16 103.22 10.81 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.412 ' HB ' ' HB2' ' A' ' 98' ' ' ALA . 58.9 t -84.65 101.48 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.538 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 36.5 ttp -92.98 115.47 28.15 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.26 0.552 . . . . 0.0 110.118 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.809 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 63.1 mtp85 -90.4 108.96 20.11 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.132 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -90.5 83.47 5.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.147 0.498 . . . . 0.0 109.835 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.526 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 10.2 m -85.8 94.74 9.21 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.82 179.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.533 ' HG3' HG12 ' A' ' 93' ' ' ILE . 31.4 tt0 -89.2 100.45 13.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.7 109.28 20.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.593 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.49 ' HE1' ' HG1' ' A' ' 5' ' ' THR . 50.6 p90 -126.51 145.72 50.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.16 0.505 . . . . 0.0 111.133 -175.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.602 ' HB2' ' HB3' ' A' ' 90' ' ' TYR . . . -113.19 133.32 55.11 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.484 ' HG2' ' HD2' ' A' ' 112' ' ' PHE . 96.7 mmm -127.95 104.94 8.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.859 0.361 . . . . 0.0 111.547 -176.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.575 ' NZ ' ' HB3' ' A' ' 115' ' ' LYS . 8.2 mtpm? -144.59 30.44 0.09 OUTLIER Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 175.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 115' ' ' LYS . 93.5 Cg_endo -83.91 17.0 1.78 Allowed 'Trans proline' 0 C--N 1.362 1.251 0 CA-C-N 121.145 1.445 . . . . 0.0 110.224 168.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 115' ' ' LYS . 1.4 m-20 63.17 37.43 11.34 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.254 -175.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.453 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -72.02 135.83 82.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.161 178.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 10.6 Cg_exo -72.93 48.66 1.44 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.674 2.916 . . . . 0.0 113.1 -177.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.9 m -115.65 139.99 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.762 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -80.21 11.69 3.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 69.42 -50.26 0.61 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.772 0.829 . . . . 0.0 110.442 -173.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.02 70.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -63.04 -37.06 85.67 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 121.156 0.503 . . . . 0.0 110.133 176.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 92.4 mmm -71.7 -46.99 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.978 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 41.9 m -56.4 -41.71 76.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 7.1 t70 -58.89 -55.22 37.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.718 176.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -44.75 88.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.625 -176.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.96 -40.6 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.679 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.57 -55.54 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.621 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 33.9 mtt180 -61.41 -42.71 99.16 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 -178.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -63.39 -52.32 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.735 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.6 m -63.58 -42.97 98.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -55.16 -47.5 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.326 . . . . 0.0 110.478 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 26.0 m -67.04 -54.8 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.193 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -61.08 -43.6 98.64 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.479 ' SD ' HD11 ' A' ' 140' ' ' ILE . 82.9 mmm -75.52 -15.75 60.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.988 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.5 62.71 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 172.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.45 -40.09 81.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.617 173.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.479 HD11 ' SD ' ' A' ' 137' ' ' MET . 42.8 mt -70.66 -44.78 76.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.53 176.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -51.44 -49.89 60.8 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 122.9 0.125 . . . . 0.0 110.822 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -53.3 -55.04 27.91 Favored 'General case' 0 CA--C 1.52 -0.21 0 O-C-N 123.418 0.449 . . . . 0.0 111.286 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 143' ' ' ARG . 50.0 mtm-85 -71.38 -31.21 67.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.068 -175.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.8 mm -68.13 -49.07 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.013 0.435 . . . . 0.0 110.133 175.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.55 -43.73 98.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.176 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -64.14 -43.86 93.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.16 93.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.011 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.86 84.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 177.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.74 83.94 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.233 -0.508 . . . . 0.0 112.469 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 0.0 110.352 176.468 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.76 166.2 13.55 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.089 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -126.12 101.3 6.71 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.872 0.368 . . . . 0.0 110.844 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.49 HG21 HG22 ' A' ' 126' ' ' THR . 28.2 m -86.99 109.52 19.44 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 175.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.81 96.07 5.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.164 0.507 . . . . 0.0 110.19 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.524 ' ND2' ' HB2' ' A' ' 108' ' ' TRP . 1.2 p-10 -107.19 103.28 12.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.566 0.698 . . . . 0.0 110.435 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.96 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 38.1 mt-10 -88.17 130.35 35.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.801 -177.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.489 HG23 ' HB3' ' A' ' 137' ' ' MET . 50.0 mm -122.02 112.78 36.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.183 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.415 ' HG1' HG23 ' A' ' 105' ' ' VAL . 20.4 m -80.77 106.65 12.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.644 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.432 HG12 ' HG2' ' A' ' 141' ' ' ARG . 58.7 mt -94.35 133.37 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.974 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.25 26.8 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.968 0.413 . . . . 0.0 111.821 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.91 143.4 36.67 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.855 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.406 ' O ' HG23 ' A' ' 18' ' ' VAL . 29.4 Cg_endo -63.89 152.48 80.56 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.638 ' HE2' ' HB3' ' A' ' 76' ' ' ARG . 75.0 mtp -59.92 -32.81 71.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.094 -173.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -63.23 -47.25 83.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.01 0.433 . . . . 0.0 110.63 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.778 HD22 ' HB3' ' A' ' 148' ' ' ALA . 9.9 mp -72.44 -34.09 67.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.552 -178.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.493 ' HA ' HD13 ' A' ' 144' ' ' ILE . 91.5 t -63.76 -47.47 90.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.051 174.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.446 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 15.6 t-105 -59.02 -54.43 47.19 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.803 -178.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.8 t -65.17 -26.87 68.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.63 0.234 . . . . 0.0 111.63 -175.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 75.4 mmm -82.99 -39.31 21.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 p -88.99 -7.24 56.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.845 0.355 . . . . 0.0 111.418 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.63 ' HA ' HH12 ' A' ' 69' ' ' ARG . 62.6 t30 -72.91 -28.8 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.545 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.678 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 11.6 m-20 -81.79 104.3 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.48 HD11 HG13 ' A' ' 38' ' ' VAL . 34.6 pt -70.04 -18.28 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.168 0.509 . . . . 0.0 110.899 -176.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.66 -5.17 38.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.645 177.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HD2' ' HB2' ' A' ' 24' ' ' ASP . 91.3 mttt -100.8 -11.79 19.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.108 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.528 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 45.3 m0 -59.87 -50.69 85.34 Favored Pre-proline 0 C--O 1.224 -0.278 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.864 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 16.0 Cg_endo -57.83 -17.12 28.48 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.251 1.967 . . . . 0.0 113.042 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.72 -36.9 21.42 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.966 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.434 HD23 HG23 ' A' ' 140' ' ' ILE . 9.3 mp -93.62 -20.65 19.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.625 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.454 ' CE1' HD13 ' A' ' 140' ' ' ILE . 4.4 m-85 -97.81 147.55 24.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.531 0.682 . . . . 0.0 112.332 -177.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.9 m -101.56 -28.82 12.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.779 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.24 -52.37 8.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.011 0.434 . . . . 0.0 111.293 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -82.97 108.32 16.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.652 -174.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.91 59.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.928 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.533 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 49.8 m -149.76 136.83 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.193 0.521 . . . . 0.0 110.83 178.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG13 HD11 ' A' ' 25' ' ' ILE . 90.2 t -128.68 102.11 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.977 178.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -120.28 156.04 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.474 -0.491 . . . . 0.0 112.219 -173.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -90.4 116.01 30.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.595 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.477 HD11 ' HD2' ' A' ' 51' ' ' ARG . 83.8 mt -81.04 -38.93 26.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.55 157.14 29.49 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -144.68 137.13 26.38 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 118.241 1.021 . . . . 0.0 110.923 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -115.67 51.2 0.95 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 61.23 -79.51 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.339 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -65.45 -37.74 87.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.043 0.449 . . . . 0.0 109.868 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -115.58 115.12 25.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.822 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.9 p -99.64 119.14 47.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.155 0.502 . . . . 0.0 110.151 175.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -86.31 96.51 9.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.882 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 69' ' ' ARG . 34.1 p90 -107.38 154.77 20.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.75 -174.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HD2' HD11 ' A' ' 41' ' ' LEU . 70.2 ttt180 -112.26 118.94 36.68 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.878 178.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.722 ' O ' ' HA ' ' A' ' 64' ' ' SER . 80.7 mt -84.57 111.48 19.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.027 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.533 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 25.5 m -101.2 114.76 29.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.97 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 44.9 mtt -96.19 -157.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.657 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -89.86 139.15 27.58 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.219 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.792 ' HG3' HG22 ' A' ' 62' ' ' VAL . 76.2 Cg_exo -51.55 125.38 16.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.22 2.613 . . . . 0.0 112.236 174.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -79.44 169.97 17.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.697 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -13.93 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.735 0.302 . . . . 0.0 111.442 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.63 -15.53 62.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.403 0.621 . . . . 0.0 110.003 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.28 27.15 31.38 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.257 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -130.81 138.72 50.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.792 HG22 ' HG3' ' A' ' 56' ' ' PRO . 21.7 t -82.8 123.64 38.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.881 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -72.96 94.24 1.83 Allowed 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.393 0.615 . . . . 0.0 109.773 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.722 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 5.8 p -133.28 103.6 6.06 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.171 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -111.35 162.11 15.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.072 0.463 . . . . 0.0 111.502 -175.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.8 t -96.18 130.32 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.837 -176.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 m -138.83 154.76 48.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.115 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -109.24 126.26 53.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.569 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.63 HH12 ' HA ' ' A' ' 23' ' ' ASN . 23.7 ttp180 -108.37 110.36 21.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.942 0.401 . . . . 0.0 110.493 177.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 t -97.85 106.27 18.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.722 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.03 105.44 17.58 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.158 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -110.85 112.18 56.09 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.944 0.402 . . . . 0.0 111.116 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -70.77 -21.35 28.92 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.164 2.576 . . . . 0.0 112.373 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.6 -54.19 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.773 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 m -74.6 -15.17 60.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.039 0.447 . . . . 0.0 110.084 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.638 ' HB3' ' HE2' ' A' ' 15' ' ' MET . 61.0 mtp180 62.12 43.73 8.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.073 -176.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 96' ' ' GLU . 92.7 m -150.03 139.63 21.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.698 -174.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 63.9 t -107.37 131.52 57.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.096 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -110.96 116.87 31.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.702 0.287 . . . . 0.0 110.751 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -111.93 95.15 5.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.054 0.455 . . . . 0.0 110.444 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -98.85 130.25 45.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.155 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -93.0 110.18 21.64 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.102 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.32 -46.45 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -84.39 109.33 17.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.946 174.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.9 p -95.02 -55.24 3.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.872 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.414 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 99.6 -114.01 4.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.009 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.414 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 7.4 Cg_exo -74.25 -6.77 18.89 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.025 2.483 . . . . 0.0 112.326 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -106.36 170.23 8.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.632 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -97.26 -40.31 8.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.077 0.465 . . . . 0.0 109.954 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -150.02 144.42 25.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.865 -177.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.3 ttm -153.11 110.58 3.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 110.532 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -117.33 108.83 16.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.471 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.484 HG23 ' HG2' ' A' ' 110' ' ' GLN . 35.6 mt -92.11 108.03 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.909 0.385 . . . . 0.0 110.274 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.7 t -93.94 111.73 25.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.496 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 20.9 m0 -86.24 83.32 7.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.632 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 33.1 tt0 -90.11 111.2 22.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.476 -174.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.414 ' HE2' HG21 ' A' ' 78' ' ' VAL . 92.8 m-85 -91.28 122.29 33.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.958 0.408 . . . . 0.0 110.772 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.539 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . . . -105.9 113.88 27.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.463 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 41.6 tt0 -77.94 101.56 6.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.539 -177.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.8 m -114.31 158.45 21.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.483 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.75 -7.83 56.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.265 0.555 . . . . 0.0 110.581 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -91.24 -4.17 56.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.049 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.46 -179.69 16.57 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.686 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 56.4 m -81.45 106.87 13.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.539 ' HB ' ' HB2' ' A' ' 98' ' ' ALA . 58.9 t -80.18 97.5 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.421 ' HE2' ' HB3' ' A' ' 106' ' ' MET . 40.9 ttp -86.07 110.93 19.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.429 -177.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.96 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 91.2 mtt180 -90.07 112.59 24.08 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.095 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.524 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 5.3 m95 -92.05 84.92 5.37 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 170.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.1 m -88.12 98.27 11.45 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.695 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.484 ' HG2' HG23 ' A' ' 93' ' ' ILE . 75.5 mt-30 -88.95 104.78 17.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.124 0.487 . . . . 0.0 110.349 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -83.16 101.53 11.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.864 176.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -119.6 145.25 46.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.26 0.552 . . . . 0.0 111.088 -175.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -130.69 121.02 24.75 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.886 176.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 39.9 ttm -100.88 145.45 28.58 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.881 ' HA ' ' HE3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -131.58 -55.19 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.969 -175.024 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.467 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 9.3 Cg_endo -55.14 -18.37 17.52 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.094 1.863 . . . . 0.0 113.511 174.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 68.05 78.29 0.23 Allowed 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.363 0.601 . . . . 0.0 111.328 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.54 167.59 29.11 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.651 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -68.22 1.25 3.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.617 2.211 . . . . 0.0 112.929 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 28.0 m -109.09 121.03 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.23 0.538 . . . . 0.0 110.361 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.85 176.02 8.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.629 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.78 -47.92 64.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.624 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.23 84.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.543 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -65.88 -49.37 68.31 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.411 ' HE2' ' HB3' ' A' ' 125' ' ' MET . 68.1 mtp -59.68 -52.48 65.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.098 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.49 HG22 HG21 ' A' ' 5' ' ' THR . 95.2 m -56.71 -44.47 81.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.479 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.11 -44.0 81.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.916 0.389 . . . . 0.0 110.507 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.95 -46.71 77.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.801 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.441 HD11 ' OE1' ' A' ' 110' ' ' GLN . 96.2 mt -64.22 -40.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.988 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -57.2 -47.84 80.26 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.019 0.438 . . . . 0.0 110.339 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -58.19 -49.07 78.33 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.132 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -62.18 -48.11 81.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.976 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.7 t -64.99 -36.63 85.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.825 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 134' ' ' ARG . 30.2 ttt85 -56.29 -49.91 72.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.972 0.415 . . . . 0.0 110.661 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.2 m -71.78 -47.35 54.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -64.09 -46.06 85.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.823 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.489 ' HB3' HG23 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -78.34 -21.96 48.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.534 -175.734 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.86 98.08 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 143' ' ' ARG . 49.6 tp -57.46 -47.51 81.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.92 174.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.454 HD13 ' CE1' ' A' ' 32' ' ' PHE . 74.0 mt -56.65 -46.17 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.908 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.432 ' HG2' HG12 ' A' ' 11' ' ' ILE . 38.1 mtm105 -49.71 -63.13 1.2 Allowed 'General case' 0 CA--C 1.519 -0.232 0 O-C-N 123.382 0.426 . . . . 0.0 111.795 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.36 -32.88 74.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.838 -174.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 139' ' ' LEU . 17.0 mtp180 -72.33 -45.46 59.84 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.252 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 18' ' ' VAL . 14.3 tt -72.02 -27.38 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.078 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.2 -42.88 83.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.34 -46.53 79.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.887 175.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.68 83.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.422 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.778 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -75.03 -35.45 61.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.779 178.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -63.15 -47.1 91.14 Favored Glycine 0 C--N 1.331 0.285 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.157 0.503 . . . . 0.0 109.681 173.319 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.15 163.22 12.6 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.02 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -125.87 132.85 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 110' ' ' GLN . 7.1 m -136.46 155.52 49.88 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -139.44 107.71 5.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.551 0.691 . . . . 0.0 110.229 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.844 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 15.9 m120 -97.52 91.61 5.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.813 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.475 ' HG2' ' CB ' ' A' ' 107' ' ' ARG . 9.0 mt-10 -95.21 125.09 39.61 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.08 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.823 HG13 ' HB3' ' A' ' 137' ' ' MET . 28.4 mm -121.18 122.15 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.29 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -78.57 103.85 8.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.195 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.538 HG12 ' HG3' ' A' ' 141' ' ' ARG . 40.1 mt -97.94 124.42 50.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 110.77 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.73 55.12 3.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.235 0.54 . . . . 0.0 110.67 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.49 148.07 54.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.895 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 148' ' ' ALA . 52.7 Cg_exo -56.07 135.89 72.15 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.146 2.564 . . . . 0.0 112.274 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.469 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 84.9 mtp -57.49 -40.87 79.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.05 -174.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.81 -42.61 97.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.498 ' HA ' HG21 ' A' ' 20' ' ' THR . 25.2 tp -72.77 -40.56 65.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.7 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -58.23 -42.38 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.243 0.545 . . . . 0.0 110.297 174.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -65.46 -48.28 73.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.94 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.498 HG21 ' HA ' ' A' ' 17' ' ' LEU . 14.3 t -70.97 -31.73 68.38 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.476 -176.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.2 mtp -76.06 -24.41 55.13 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.169 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 p -85.87 -20.29 29.3 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.451 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -79.42 -28.55 41.76 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 170.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.52 61.56 0.7 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.868 170.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.579 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 12.1 pt -59.88 -24.15 28.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.039 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.3 -15.64 60.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.912 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -95.21 -1.22 52.12 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.385 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CZ2' HG21 ' A' ' 25' ' ' ILE . 43.4 m0 -58.0 -42.8 97.05 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.4 Cg_endo -61.67 -14.69 37.37 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.047 1.832 . . . . 0.0 112.766 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.02 -12.16 62.3 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.504 HD21 HG22 ' A' ' 140' ' ' ILE . 11.0 mp -96.81 -55.49 2.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.48 ' CE2' HD11 ' A' ' 139' ' ' LEU . 14.2 t80 -114.49 148.39 37.93 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 p -98.97 20.57 13.03 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -167.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -102.92 -30.26 10.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.958 0.408 . . . . 0.0 111.107 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -74.84 138.64 42.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.237 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.36 -76.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.044 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 m -130.06 109.44 10.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 0.0 110.983 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.651 HG23 ' HG ' ' A' ' 52' ' ' LEU . 43.4 t -88.26 106.31 16.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -93.86 112.05 23.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.054 0.454 . . . . 0.0 110.975 -173.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.43 HG21 HD13 ' A' ' 25' ' ' ILE . 46.7 t -77.45 112.83 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.729 176.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.488 HD12 HG22 ' A' ' 49' ' ' THR . 84.5 mt -85.75 -19.27 31.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.153 0.501 . . . . 0.0 110.297 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.36 164.79 10.44 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.445 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 36.6 ptt85 -122.91 109.45 14.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.264 0.554 . . . . 0.0 110.457 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -89.31 86.48 6.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.482 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.69 -85.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.526 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -102.39 -27.61 12.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.335 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.812 ' HG2' HG21 ' A' ' 70' ' ' VAL . 99.5 mttt -88.84 100.51 13.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.593 0.235 . . . . 0.0 111.015 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.531 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 7.0 p -88.69 114.13 26.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.456 0.646 . . . . 0.0 109.351 173.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.488 HG22 HD12 ' A' ' 41' ' ' LEU . 15.8 m -90.56 124.11 34.76 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.278 -176.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -133.05 135.89 45.63 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.482 0.658 . . . . 0.0 111.253 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 65' ' ' TRP . 41.1 ttt180 -105.27 103.5 13.05 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.638 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.651 ' HG ' HG23 ' A' ' 38' ' ' VAL . 5.0 tt -83.1 110.64 18.18 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.0 m -77.23 118.63 19.92 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.432 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 71.5 mtp -82.73 152.76 25.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.319 -175.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -60.64 145.32 87.86 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.905 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -44.2 123.03 4.03 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.495 2.797 . . . . 0.0 113.175 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.08 157.88 14.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.438 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.78 -30.05 63.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.202 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.82 -29.13 55.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.912 0.387 . . . . 0.0 110.818 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.63 -24.52 4.61 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.297 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.56 148.14 43.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 111.326 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.4 t -105.96 119.74 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -100.64 -175.25 2.85 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.783 0.801 . . . . 0.0 111.491 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.6 m -166.84 173.78 9.15 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.894 -1.503 . . . . 0.0 108.698 -176.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.537 ' CZ2' HD13 ' A' ' 52' ' ' LEU . 8.9 p90 -150.24 142.6 24.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.295 167.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.35 117.06 43.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.084 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 p -138.74 149.29 44.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.723 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -114.08 128.28 56.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.242 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.465 ' HB3' HG13 ' A' ' 48' ' ' VAL . 14.5 ttt180 -101.81 108.77 20.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.637 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.812 HG21 ' HG2' ' A' ' 47' ' ' LYS . 25.9 t -91.77 105.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.569 176.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -95.69 105.76 17.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.443 -176.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.9 99.89 18.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.388 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.08 -43.37 11.68 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 123.06 2.507 . . . . 0.0 112.645 -175.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.36 -39.82 85.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.124 0.488 . . . . 0.0 110.481 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 m -79.69 -12.8 59.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.239 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? 60.98 27.32 17.21 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 110.717 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.0 m -128.48 115.19 17.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.989 0.423 . . . . 0.0 111.164 -173.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 70.3 t -98.74 111.58 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 175.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -93.42 102.65 14.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.996 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.28 99.83 11.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.298 0.57 . . . . 0.0 109.746 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -92.53 116.46 29.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.594 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.559 ' HB3' ' HB2' ' A' ' 91' ' ' MET . 0.7 OUTLIER -83.72 98.72 9.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.665 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.08 -47.12 82.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.31 0.576 . . . . 0.0 110.268 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -88.26 97.96 11.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.631 177.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.434 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 5.5 p -91.27 -62.95 1.33 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.899 -176.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.99 -108.33 3.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.739 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.17 -13.92 37.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.909 2.406 . . . . 0.0 111.678 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.434 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 58.5 m-85 -97.67 158.23 15.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.491 178.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -91.19 -58.53 2.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.194 0.521 . . . . 0.0 109.886 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 68.1 t80 -143.71 126.73 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.769 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.559 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 95.4 mmm -112.89 104.0 11.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.512 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.737 ' HB3' ' HB2' ' A' ' 111' ' ' ASP . 11.7 t30 -100.03 96.76 7.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.558 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.5 mt -101.32 102.26 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.226 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.531 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 65.7 t -98.59 111.68 28.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.008 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.565 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 19.1 m0 -89.11 91.84 8.96 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 173.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -92.1 125.21 36.69 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -97.57 115.74 28.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.78 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.08 112.28 25.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.161 0.505 . . . . 0.0 111.017 -177.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 41.9 mt-10 -66.86 104.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.722 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 m -128.68 158.55 38.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.242 -174.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.52 -41.6 69.88 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -176.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.53 -21.27 60.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.331 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.81 -169.26 29.96 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.239 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 m -80.85 100.87 9.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.99 0.424 . . . . 0.0 110.008 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 60.1 t -82.3 100.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.031 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 52.6 ttp -93.21 115.17 27.79 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.475 ' CB ' ' HG2' ' A' ' 8' ' ' GLU . 31.4 ptt180 -114.56 129.07 56.63 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.781 0.8 . . . . 0.0 112.061 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.844 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 11.5 m0 -81.48 88.71 6.14 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.132 -1.395 . . . . 0.0 110.138 177.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.531 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 63.5 m -76.64 108.28 9.53 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.751 175.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.757 HE21 ' HB3' ' A' ' 108' ' ' TRP . 80.5 mm-40 -98.38 108.26 20.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.947 -175.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.737 ' HB2' ' HB3' ' A' ' 92' ' ' ASN . 32.1 m-20 -106.53 93.46 4.6 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 171.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.464 ' HZ ' ' HG1' ' A' ' 126' ' ' THR . 44.5 p90 -108.8 130.11 55.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.351 0.596 . . . . 0.0 111.611 -172.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -113.2 116.8 30.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.48 174.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.0 ptm -159.32 151.25 20.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.159 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.528 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 6.5 tmtt? -175.54 -54.66 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 O-C-N 123.309 0.381 . . . . 0.0 110.955 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 3.9 Cg_endo -45.87 111.72 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 122.976 2.451 . . . . 0.0 113.464 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.19 -16.75 0.5 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.114 174.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -86.73 120.38 71.77 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.751 0.31 . . . . 0.0 110.801 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -87.65 77.58 1.76 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.813 2.342 . . . . 0.0 111.862 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.31 149.68 33.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.643 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -108.88 24.34 13.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 71.32 -56.99 0.62 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.751 -174.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.45 -41.91 66.62 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.522 0.514 . . . . 0.0 111.201 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -52.0 -56.62 13.16 Favored 'General case' 0 C--O 1.228 -0.066 0 O-C-N 123.615 0.572 . . . . 0.0 110.745 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.443 ' O ' HG13 ' A' ' 129' ' ' ILE . 95.7 mmm -65.88 -42.09 90.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 -177.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.464 ' HG1' ' HZ ' ' A' ' 112' ' ' PHE . 62.1 m -54.15 -52.73 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.324 0.39 . . . . 0.0 111.483 -177.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.497 ' HA ' ' ND2' ' A' ' 130' ' ' ASN . 24.4 t70 -82.01 -26.66 33.65 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.008 -175.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -63.16 -42.96 99.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.573 HG21 ' HG3' ' A' ' 110' ' ' GLN . 74.4 mt -60.16 -41.12 85.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.193 175.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . 0.505 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 95.4 m-20 -52.6 -54.38 33.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.802 0.334 . . . . 0.0 110.427 176.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -60.07 -50.05 75.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.479 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.91 -48.76 73.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.325 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.4 t -66.64 -42.24 87.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.247 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.505 ' NH1' ' HB3' ' A' ' 130' ' ' ASN . 47.6 mtm-85 -61.38 -40.58 94.86 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.473 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 58.4 m -59.47 -49.47 77.65 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 120.9 0.381 . . . . 0.0 110.327 177.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -60.31 -57.59 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.89 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.823 ' HB3' HG13 ' A' ' 9' ' ' ILE . 31.0 mmt -63.01 -37.33 86.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.513 -173.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.87 86.69 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.486 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.48 HD11 ' CE2' ' A' ' 32' ' ' PHE . 8.2 tt -67.48 -46.28 73.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.099 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.504 HG22 HD21 ' A' ' 31' ' ' LEU . 66.5 mt -65.74 -38.21 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.293 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.538 ' HG3' HG12 ' A' ' 11' ' ' ILE . 13.3 ttp180 -54.93 -50.35 69.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.223 175.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.94 -35.38 73.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.106 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -69.99 -43.62 71.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.607 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 31.2 mm -62.52 -52.42 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.753 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.83 -35.14 78.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -62.64 -49.56 74.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.086 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.36 92.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.916 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.48 ' HB3' ' HD2' ' A' ' 14' ' ' PRO . . . -69.63 -15.58 63.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -93.62 -41.13 4.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.432 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.672 -0.264 . . . . 0.0 111.277 177.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.516 ' HA ' ' O ' ' A' ' 114' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.445 0.164 . . . . 0.0 111.283 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.541 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -170.33 117.38 0.53 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.93 173.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.54 128.35 6.92 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.249 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -100.52 99.22 9.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.983 0.421 . . . . 0.0 110.464 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.763 ' HG1' ' HE1' ' A' ' 112' ' ' PHE . 23.2 m -96.6 116.67 29.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.12 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -116.72 87.85 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.849 0.357 . . . . 0.0 110.309 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.539 ' OD1' ' HA ' ' A' ' 130' ' ' ASN . 2.1 m120 -98.85 115.54 29.06 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.475 0.655 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 22.5 mt-10 -113.16 140.24 48.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.087 -175.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.438 HD11 ' HD3' ' A' ' 141' ' ' ARG . 17.5 tt -143.56 139.86 26.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.846 0.355 . . . . 0.0 110.673 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 m -86.99 132.51 33.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.379 -175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.447 HG12 ' HG3' ' A' ' 141' ' ' ARG . 20.2 mt -124.23 141.09 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.49 21.74 5.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.929 0.395 . . . . 0.0 111.252 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -95.17 140.99 22.64 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 22.5 Cg_exo -64.48 148.16 90.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.954 2.436 . . . . 0.0 112.171 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.485 ' HE2' ' HD3' ' A' ' 76' ' ' ARG . 79.1 mmm -49.3 -41.84 39.5 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.053 -177.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -54.03 -53.9 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.46 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.576 ' HA ' HG21 ' A' ' 20' ' ' THR . 6.1 tp -73.1 -37.18 66.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.431 -174.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.491 ' HA ' HD11 ' A' ' 144' ' ' ILE . 96.8 t -57.03 -48.0 82.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.003 0.43 . . . . 0.0 110.703 175.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -66.38 -53.43 36.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.624 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.576 HG21 ' HA ' ' A' ' 17' ' ' LEU . 11.6 t -65.49 -34.28 77.91 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.5 tpp -69.28 -43.77 73.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.85 0.357 . . . . 0.0 110.703 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.8 p -74.39 -19.32 60.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.463 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -81.97 -23.43 36.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.818 0.342 . . . . 0.0 110.608 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -85.52 81.75 8.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.352 0.596 . . . . 0.0 109.4 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.615 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 29.8 pt -68.69 -14.5 18.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.893 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.9 -16.15 61.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.253 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -103.06 2.4 34.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.275 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.615 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 38.3 m0 -56.74 -43.38 99.34 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.67 -16.15 23.59 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.181 1.921 . . . . 0.0 113.277 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.29 -7.59 72.72 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.097 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.807 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 7.3 mp -118.91 -39.66 2.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.153 0.502 . . . . 0.0 110.214 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.82 112.35 24.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.273 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.7 m -81.59 -5.98 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.882 178.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -75.16 -21.95 58.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.881 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -115.66 173.22 6.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.024 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.25 -33.28 3.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.871 0.367 . . . . 0.0 111.16 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.516 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 50.8 m -148.94 140.7 23.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.89 0.376 . . . . 0.0 111.08 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 28' ' ' TRP . 64.7 t -121.08 102.27 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.26 126.18 47.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.258 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.509 HG21 HD13 ' A' ' 25' ' ' ILE . 3.5 t -84.64 102.1 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.4 -44.01 68.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.296 0.569 . . . . 0.0 109.93 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.39 156.16 25.66 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.527 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -121.56 108.81 14.04 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.223 0.535 . . . . 0.0 110.461 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 37.4 t70 -92.94 58.95 3.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.338 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 59.78 -83.91 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.702 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -78.44 -36.16 45.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.536 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.828 ' HG2' HG21 ' A' ' 70' ' ' VAL . 77.2 mttt -89.49 111.2 22.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.453 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.514 HG13 ' HB3' ' A' ' 69' ' ' ARG . 7.6 p -98.66 105.82 17.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-O 121.661 0.743 . . . . 0.0 109.001 170.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.5 m -94.88 118.09 31.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.181 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' HB3' HD12 ' A' ' 25' ' ' ILE . 19.7 p90 -128.58 164.52 22.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.44 0.638 . . . . 0.0 111.891 -174.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -112.21 114.51 27.35 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.273 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.53 ' O ' ' HA ' ' A' ' 64' ' ' SER . 63.3 mt -84.77 104.49 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.982 0.42 . . . . 0.0 110.263 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.516 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 38.9 m -102.96 126.62 50.2 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.567 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.839 ' HE3' ' HH2' ' A' ' 65' ' ' TRP . 42.0 mtt -101.35 175.26 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.683 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -71.73 153.55 93.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.304 172.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.64 ' HG3' HG23 ' A' ' 62' ' ' VAL . 28.1 Cg_exo -61.83 154.88 58.01 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.775 2.317 . . . . 0.0 112.757 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD2' ' HB3' ' A' ' 61' ' ' LYS . 18.4 p30 -81.82 -167.0 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.91 -21.31 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.103 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.46 -3.66 43.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.233 0.539 . . . . 0.0 110.247 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.4 17.79 51.48 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.126 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 87.7 tttt -94.1 127.21 39.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.67 0.271 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.64 HG23 ' HG3' ' A' ' 56' ' ' PRO . 42.7 t -85.43 134.92 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.43 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -105.26 136.58 44.53 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.979 0.419 . . . . 0.0 110.597 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.53 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 73.9 p -156.35 147.36 22.12 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.673 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.839 ' HH2' ' HE3' ' A' ' 54' ' ' MET . 47.8 p90 -148.32 149.76 32.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.0 136.08 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -139.55 146.43 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.503 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -104.78 119.54 39.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.412 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.514 ' HB3' HG13 ' A' ' 48' ' ' VAL . 71.3 ttt-85 -106.35 107.26 18.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.918 0.39 . . . . 0.0 110.034 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.828 HG21 ' HG2' ' A' ' 47' ' ' LYS . 24.1 t -94.05 128.56 45.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.733 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.493 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -93.26 110.92 22.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.494 175.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -105.41 92.34 5.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 13.0 Cg_exo -69.87 -26.92 26.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.138 2.558 . . . . 0.0 113.426 -170.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.9 t -66.67 -46.34 86.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.829 0.347 . . . . 0.0 111.383 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 p -98.91 10.79 40.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.378 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.485 ' HD3' ' HE2' ' A' ' 15' ' ' MET . 64.2 mtt180 55.31 44.32 27.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.25 0.548 . . . . 0.0 109.863 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -119.48 139.28 52.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.439 -172.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 91.0 t -114.79 126.7 72.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 172.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 79' ' ' ARG . 33.6 mtt180 -111.73 102.66 10.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.355 -177.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.05 99.45 9.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.945 0.403 . . . . 0.0 110.753 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -102.02 138.15 39.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.017 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -89.42 122.52 32.71 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.756 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.4 t -73.43 -49.65 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.386 0.612 . . . . 0.0 109.564 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 42.5 mt-10 -96.69 121.0 38.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.323 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 88' ' ' PHE . 5.5 t -159.27 145.76 16.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.896 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -111.23 -82.96 1.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.541 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.57 -24.35 74.77 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.966 2.444 . . . . 0.0 112.809 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.401 ' HB2' ' OG1' ' A' ' 85' ' ' THR . 81.6 m-85 -95.54 101.12 12.8 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -60.61 -39.62 88.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.906 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -135.14 141.96 46.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.398 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 42.7 ttm -159.11 108.61 1.92 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.254 0.549 . . . . 0.0 111.326 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -124.71 115.94 21.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.119 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.507 HG21 ' HG2' ' A' ' 110' ' ' GLN . 23.8 mt -99.02 106.46 18.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.989 0.423 . . . . 0.0 110.337 -176.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.549 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 97.0 t -98.32 112.79 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.055 -177.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 26.4 m0 -98.26 102.15 13.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -98.44 129.99 45.05 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -101.37 115.11 29.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.067 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.47 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . . . -105.78 107.33 18.27 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.077 -175.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.46 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 36.0 tt0 -68.21 106.5 2.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.913 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.4 m -120.88 163.22 18.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.151 -175.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.83 -29.5 66.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.52 -24.5 42.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 0.0 110.775 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.61 -169.44 27.8 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.695 -173.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.3 m -79.89 108.96 13.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.866 0.365 . . . . 0.0 110.41 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.47 ' HB ' ' HB2' ' A' ' 98' ' ' ALA . 98.7 t -82.5 117.89 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 49.0 ttp -94.85 118.35 31.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.061 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.438 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 40.3 ttm180 -105.8 114.71 29.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.698 -177.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -96.3 91.36 5.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.163 0.506 . . . . 0.0 110.443 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.549 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 92.0 m -89.73 98.62 11.87 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.796 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.507 ' HG2' HG21 ' A' ' 93' ' ' ILE . 86.1 mt-30 -95.39 102.93 14.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.386 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -89.01 98.36 11.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.763 ' HE1' ' HG1' ' A' ' 5' ' ' THR . 50.0 p90 -124.97 146.08 49.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.068 0.461 . . . . 0.0 110.495 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.541 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -130.26 108.21 9.85 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.836 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.549 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 60.7 mtp -98.84 141.29 31.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.178 0.514 . . . . 0.0 110.813 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 1.8 ttpm? -164.51 -56.98 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.502 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 11.6 Cg_endo -55.81 101.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.253 1.969 . . . . 0.0 112.749 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.9 t70 56.66 36.24 27.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.3 112.71 49.87 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -81.03 -2.14 11.59 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.786 2.324 . . . . 0.0 112.019 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 124' ' ' TRP . 9.3 m -115.76 156.77 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.752 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.637 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 38.8 t70 -97.3 29.51 3.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.324 -174.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 69.44 -48.43 0.6 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.161 -178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.44 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.637 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 95.7 m95 -60.0 -41.36 91.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.436 175.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.549 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 96.8 mmm -67.16 -50.48 61.02 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.87 177.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.4 m -51.96 -46.54 64.83 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.548 0.53 . . . . 0.0 111.589 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 18.9 t70 -57.79 -49.86 75.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 110.48 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -66.67 -37.85 85.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.704 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 125' ' ' MET . 75.6 mt -62.82 -45.98 97.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.539 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 13.9 m120 -53.36 -46.69 69.69 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.102 0.477 . . . . 0.0 110.411 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 81.8 mtt-85 -67.96 -51.15 50.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.068 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -66.33 -32.03 73.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 137' ' ' MET . 18.3 t -59.85 -43.87 94.4 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 130' ' ' ASN . 67.4 mtm180 -58.79 -40.53 84.3 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.152 176.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.8 m -64.93 -60.03 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.277 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -71.88 -44.11 64.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.188 -173.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.611 ' HB2' ' O ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -66.34 -36.76 83.74 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 121.256 -0.178 . . . . 0.0 110.985 -177.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.08 -36.77 75.16 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.473 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.13 -51.44 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.551 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.472 HG23 HD21 ' A' ' 31' ' ' LEU . 75.8 mt -64.94 -39.55 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.261 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 137' ' ' MET . 16.2 ttp85 -52.0 -56.34 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.993 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -69.12 -40.12 78.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.807 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 9.4 tpt180 -52.4 -52.63 52.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.017 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 18' ' ' VAL . 15.7 tt -76.32 -30.31 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.56 -38.08 83.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.034 0.445 . . . . 0.0 109.844 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.99 -37.0 85.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.354 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.07 -38.55 85.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.31 -19.3 60.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.073 0.463 . . . . 0.0 110.878 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -85.24 -30.85 24.15 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.349 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -72.21 -51.14 22.47 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -107.08 115.15 29.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.934 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -64.09 -14.59 55.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.868 -169.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.483 HG21 ' H ' ' A' ' 154' ' ' ALA . 2.1 m 60.33 -136.59 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . 0.483 ' H ' HG21 ' A' ' 153' ' ' THR . . . -109.39 127.61 54.49 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.073 -0.392 . . . . 0.0 110.176 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 11.3 p -115.7 173.98 6.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.871 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 35.8 t -74.14 79.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 160' ' ' LEU . 50.8 tp -172.03 -30.83 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.091 -174.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.36 -38.66 74.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.289 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -111.86 27.06 10.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.053 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 157' ' ' LEU . 33.1 tp -54.55 -40.6 68.86 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.22 0.533 . . . . 0.0 109.611 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -107.58 124.76 50.42 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 167.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.84 164.67 21.46 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -82.31 -6.62 59.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -162.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 58.6 19.44 6.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.935 0.397 . . . . 0.0 111.396 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -119.55 121.7 39.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.305 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -92.07 -2.95 56.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.203 0.525 . . . . 0.0 109.834 173.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.271 175.157 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.593 0.235 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.6 136.64 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.5 124.04 12.39 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.431 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -121.93 92.26 3.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.953 0.406 . . . . 0.0 109.997 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.525 ' OG1' ' HB2' ' A' ' 110' ' ' GLN . 3.0 p -101.69 101.93 12.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.47 -178.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 30.6 t70 -94.58 100.41 12.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.452 HD22 ' HB ' ' A' ' 5' ' ' THR . 34.6 m-80 -105.97 102.04 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.927 0.394 . . . . 0.0 111.102 -175.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.808 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 27.6 mt-10 -92.09 130.12 37.89 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.409 HG23 ' HB3' ' A' ' 137' ' ' MET . 6.0 tp -129.96 112.5 24.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.308 0.575 . . . . 0.0 109.936 173.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 m -79.7 113.42 17.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.432 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.523 HD12 HG21 ' A' ' 144' ' ' ILE . 62.0 mt -106.51 129.15 60.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.205 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.4 71.46 9.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.25 0.548 . . . . 0.0 110.305 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.43 149.43 24.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.858 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.473 ' O ' HG22 ' A' ' 18' ' ' VAL . 35.1 Cg_exo -62.11 137.83 68.94 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.008 2.472 . . . . 0.0 112.049 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.414 ' HE1' ' HB3' ' A' ' 97' ' ' TYR . 75.3 mtp -61.8 -20.82 64.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.253 -174.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.99 -60.36 3.99 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.675 0.274 . . . . 0.0 110.735 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.63 ' HA ' HG23 ' A' ' 20' ' ' THR . 23.1 tp -69.42 -31.69 70.19 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.541 ' HA ' HD11 ' A' ' 144' ' ' ILE . 89.8 t -56.94 -50.9 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.684 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -65.93 -49.91 66.28 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.56 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.63 HG23 ' HA ' ' A' ' 17' ' ' LEU . 13.9 t -67.15 -17.01 64.66 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -173.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 83.4 mtp -93.34 -45.72 7.69 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.328 177.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.658 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 45.5 p -80.22 -22.33 41.94 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.767 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 12.8 t30 -86.01 -26.27 25.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.706 0.289 . . . . 0.0 110.923 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.514 ' OD2' ' HG2' ' A' ' 27' ' ' LYS . 13.6 t70 -79.3 97.98 6.5 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.528 ' HB ' HG13 ' A' ' 38' ' ' VAL . 20.4 pt -63.37 -21.06 27.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.158 -169.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.95 3.07 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.059 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HG2' ' OD2' ' A' ' 24' ' ' ASP . 47.7 mmtm -92.09 -20.2 21.52 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.512 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 48.5 m0 -55.01 -51.12 82.15 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.938 -175.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.9 Cg_endo -59.04 -18.35 42.8 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.302 2.001 . . . . 0.0 113.301 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.23 -27.07 56.42 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.788 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.35 -45.41 5.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.771 0.32 . . . . 0.0 110.573 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -94.27 119.85 33.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.943 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 p -73.08 -32.15 64.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.38 -29.63 67.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -170.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -86.42 137.86 32.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' HB2' ' HA ' ' A' ' 55' ' ' HIS . . . -96.67 -58.54 2.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.653 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 m -134.59 135.32 42.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.528 HG13 ' HB ' ' A' ' 25' ' ' ILE . 66.5 t -104.08 106.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -93.87 119.61 33.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.989 -172.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.496 HG22 HD12 ' A' ' 25' ' ' ILE . 32.0 t -81.67 99.46 4.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.8 0.334 . . . . 0.0 110.245 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.45 -44.61 70.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.916 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.13 161.87 33.04 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.846 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -107.23 161.42 14.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.93 0.395 . . . . 0.0 110.154 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.749 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 30.6 t70 -138.07 159.45 42.0 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -49.66 -42.11 44.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.018 0.437 . . . . 0.0 111.638 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -124.4 10.07 8.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.407 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.869 ' HG2' HG21 ' A' ' 70' ' ' VAL . 40.2 mttp -137.57 178.03 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 111.739 -175.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.0 p -148.38 117.83 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.588 167.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.411 HG23 ' HG2' ' A' ' 68' ' ' GLU . 9.2 m -90.19 113.69 25.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.943 -177.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -127.31 161.01 29.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.168 0.508 . . . . 0.0 111.413 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -113.83 112.59 23.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.283 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 64' ' ' SER . 46.3 mt -81.51 106.1 13.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.585 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.6 p -102.4 120.07 39.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.832 ' HE3' ' HH2' ' A' ' 65' ' ' TRP . 41.7 mtt -82.47 172.01 13.49 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.459 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 38.0 p-80 -59.98 141.04 90.16 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.415 178.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -51.96 119.47 5.75 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.696 2.264 . . . . 0.0 111.931 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.46 159.38 34.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.671 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.39 -26.8 54.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.453 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.19 -5.45 41.91 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.121 0.486 . . . . 0.0 111.038 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.69 14.35 61.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.783 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -109.58 142.67 40.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.992 0.425 . . . . 0.0 111.048 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.57 102.07 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.088 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -69.59 107.28 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.675 0.75 . . . . 0.0 110.721 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 6.6 m -126.68 141.8 51.74 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.629 -175.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.832 ' HH2' ' HE3' ' A' ' 54' ' ' MET . 44.7 p90 -144.49 149.46 35.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.802 0.334 . . . . 0.0 110.404 176.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -81.77 129.6 37.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.505 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.9 t -141.78 147.47 37.37 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HG2' HG23 ' A' ' 49' ' ' THR . 42.9 mt-10 -118.77 132.07 56.13 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.82 -178.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 23' ' ' ASN . 31.6 ttt85 -101.74 107.12 18.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.37 176.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.869 HG21 ' HG2' ' A' ' 47' ' ' LYS . 40.0 t -88.75 105.52 15.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.687 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.511 ' HA ' HG22 ' A' ' 78' ' ' VAL . . . -107.72 108.21 19.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.664 0.269 . . . . 0.0 111.556 -175.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 22.9 t70 -104.95 106.03 53.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 12.5 Cg_exo -70.63 -23.28 27.01 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 123.154 2.569 . . . . 0.0 112.839 -175.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.4 t -71.12 -52.09 29.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.114 0.483 . . . . 0.0 110.368 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -80.42 -15.29 57.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.04 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 60.85 39.63 16.73 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.032 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.5 m -131.46 130.88 43.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.779 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 97.7 t -119.01 136.21 56.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.233 -176.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.461 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 99.5 mtt180 -110.94 110.39 20.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.615 178.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.89 94.26 6.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -93.13 133.11 36.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.932 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 ttt-85 -85.04 106.67 16.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.093 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.3 -48.55 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.032 0.444 . . . . 0.0 110.432 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -90.19 150.08 22.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.677 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 17.1 p -121.81 -91.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.59 -107.82 3.44 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.231 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.77 -2.61 11.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.837 2.358 . . . . 0.0 112.326 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.677 ' O ' ' HB ' ' A' ' 85' ' ' THR . 96.3 m-85 -123.01 155.13 37.46 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -95.24 -37.55 10.97 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.9 0.381 . . . . 0.0 110.494 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -149.51 146.65 27.5 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 54.7 ttm -160.02 110.67 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 0.0 111.29 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -128.72 113.62 15.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.877 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.492 HG23 ' HG2' ' A' ' 110' ' ' GLN . 44.5 mt -95.16 113.53 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.516 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.55 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 38.4 t -93.84 120.79 43.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.397 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.658 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.2 m0 -97.57 98.22 9.72 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.832 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 48.5 mt-10 -91.0 114.17 26.62 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.409 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.414 ' HB3' ' HE1' ' A' ' 15' ' ' MET . 21.2 m-85 -91.48 109.26 20.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.451 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.78 121.21 43.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.046 0.451 . . . . 0.0 111.287 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.41 122.68 18.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.533 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 103' ' ' GLY . 1.9 m -135.06 153.96 51.86 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.17 -14.46 57.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.318 0.58 . . . . 0.0 110.335 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.89 17.9 20.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.596 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.499 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 135.34 -169.23 23.48 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.272 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.3 m -109.43 117.3 33.67 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -91.44 102.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 44.7 ttp -92.98 118.64 31.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.832 ' HB2' ' HB2' ' A' ' 96' ' ' GLU . 35.8 mtp85 -103.21 114.62 29.06 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.489 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 3.8 m0 -89.39 82.49 6.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.845 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.55 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 8.7 m -87.64 94.97 9.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.525 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 85.8 mt-30 -91.64 109.38 20.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.786 -177.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -95.73 100.75 12.43 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -128.37 169.47 14.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.892 0.377 . . . . 0.0 110.443 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.34 128.44 12.76 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 115' ' ' LYS . 39.1 mtp -92.95 -119.61 0.09 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 119.118 -0.468 . . . . 0.0 110.139 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 114' ' ' MET . 23.5 mtpp 109.22 -32.75 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.037 1.335 . . . . 0.0 113.355 174.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.495 ' HD2' ' C ' ' A' ' 114' ' ' MET . 64.8 Cg_exo -44.75 159.31 0.13 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.278 1.319 . . . . 0.0 111.48 164.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -75.92 27.37 0.11 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.357 -173.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 116' ' ' PRO . . . -66.88 143.07 97.82 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.124 177.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.86 -44.54 46.52 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.905 2.404 . . . . 0.0 112.456 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.596 HG11 ' HD1' ' A' ' 124' ' ' TRP . 27.4 m -81.68 135.35 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.075 175.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.84 -177.57 3.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.35 -42.76 67.13 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.641 0.588 . . . . 0.0 111.342 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.04 -45.63 48.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.035 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.596 ' HD1' HG11 ' A' ' 120' ' ' VAL . 68.0 t-105 -69.16 -33.6 73.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.958 0.409 . . . . 0.0 110.254 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.692 ' HA ' ' HE3' ' A' ' 125' ' ' MET . 1.1 mmt -62.53 -38.93 91.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.088 173.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.51 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 87.8 m -56.55 -49.99 73.19 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.267 0.354 . . . . 0.0 110.989 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 8.8 t70 -57.22 -50.33 73.19 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.793 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -62.38 -47.4 84.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.41 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.92 -41.11 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.058 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -56.71 -48.83 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.874 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 38.6 mtt-85 -69.63 -51.25 36.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -64.54 -46.03 84.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.286 -174.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.8 m -68.02 -34.37 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.103 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -56.46 -48.64 76.66 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.0 m -68.91 -47.77 64.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.369 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -65.77 -46.47 78.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.727 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.409 ' HB3' HG23 ' A' ' 9' ' ' ILE . 89.3 mmm -68.28 -30.05 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.66 89.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.606 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.45 -48.1 81.12 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.03 0.443 . . . . 0.0 110.235 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.33 -42.57 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.276 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.471 ' HA ' HG23 ' A' ' 144' ' ' ILE . 1.1 tmt_? -59.74 -42.65 93.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.937 177.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 11.6 t70 -60.84 -49.44 77.45 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 143' ' ' ARG . 53.9 mmt-85 -62.74 -45.5 92.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.808 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.541 HD11 ' HA ' ' A' ' 18' ' ' VAL . 17.5 tt -70.43 -31.54 47.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 121.126 -0.229 . . . . 0.0 111.475 -174.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.1 -35.38 66.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.452 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 99.4 mt-30 -61.31 -42.49 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.179 0.514 . . . . 0.0 109.724 173.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.23 85.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.324 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . . . -71.55 -20.64 62.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 111.551 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -83.92 -38.8 9.96 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.201 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.58 -50.37 65.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.392 0.615 . . . . 0.0 110.436 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.426 ' HE ' ' HB2' ' A' ' 155' ' ' SER . 45.0 mtt85 -117.38 119.65 35.76 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.819 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -87.46 -1.46 57.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.062 -174.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 15.0 t -159.22 169.74 23.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.243 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.78 100.8 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.127 0.489 . . . . 0.0 110.872 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.426 ' HB2' ' HE ' ' A' ' 151' ' ' ARG . 10.6 m -86.17 118.9 25.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.677 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 40.6 t -84.66 143.9 10.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.513 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 53.4 tp -92.62 117.82 30.37 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.482 ' HB2' ' HG3' ' A' ' 161' ' ' GLU . . . -103.97 155.66 18.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 -174.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.452 ' HA ' ' HE1' ' A' ' 164' ' ' HIS . 18.6 t70 -91.73 -19.09 22.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.473 0.654 . . . . 0.0 109.569 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.5 tp -76.76 1.33 17.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.482 ' HG3' ' HB2' ' A' ' 158' ' ' ALA . 48.7 mt-10 -77.03 120.15 21.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.213 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -64.75 -43.36 93.57 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -120.13 113.65 20.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 168.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . 0.452 ' HE1' ' HA ' ' A' ' 159' ' ' ASP . 66.8 m-70 -83.14 166.61 18.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.085 0.469 . . . . 0.0 111.184 -170.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.4 45.01 0.63 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.82 171.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -174.61 -52.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . 0.409 ' H ' ' HB2' ' A' ' 164' ' ' HIS . 78.9 t60 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.371 -0.823 . . . . 0.0 110.122 177.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.8 mtm . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.945 0.403 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -137.16 149.02 47.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.101 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -110.92 105.99 1.98 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -91.5 92.86 8.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.75 0.31 . . . . 0.0 110.234 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.431 HG23 ' CG2' ' A' ' 129' ' ' ILE . 12.0 m -91.93 101.7 14.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.118 178.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -104.36 88.73 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.629 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -90.0 111.48 22.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.059 0.457 . . . . 0.0 109.822 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.547 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 32.5 mt-10 -103.91 116.36 32.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.708 -175.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.464 HG22 ' HB3' ' A' ' 137' ' ' MET . 15.6 tt -126.56 134.46 66.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.143 0.497 . . . . 0.0 110.919 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.8 m -89.37 116.82 27.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.86 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.1 mt -102.23 127.72 55.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.865 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.58 68.22 10.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.153 0.502 . . . . 0.0 110.627 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.63 148.95 19.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.606 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.536 ' O ' HG22 ' A' ' 18' ' ' VAL . 20.4 Cg_endo -60.99 138.73 80.55 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.281 2.654 . . . . 0.0 112.344 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.469 ' HG2' ' OG1' ' A' ' 104' ' ' THR . 78.3 mtp -58.23 -36.1 72.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.56 -172.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.17 -56.03 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -174.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.655 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 22.6 tp -64.21 -32.67 74.34 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 122.458 -0.151 . . . . 0.0 111.246 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 14' ' ' PRO . 96.2 t -60.52 -53.36 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.922 0.392 . . . . 0.0 110.082 175.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.405 ' CZ2' ' HB1' ' A' ' 71' ' ' ALA . 47.0 t-105 -56.13 -45.3 79.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.958 0.885 . . . . 0.0 109.655 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.655 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 4.5 m -57.5 -43.5 84.26 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.176 -1.374 . . . . 0.0 112.18 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 96.6 mmm -71.03 -40.11 71.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.47 0.176 . . . . 0.0 111.399 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.6 p -75.82 -14.16 60.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.34 . . . . 0.0 111.494 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -77.94 -24.98 48.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.734 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 13.4 t0 -79.23 81.97 5.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.582 HG23 ' CZ2' ' A' ' 28' ' ' TRP . 28.6 pt -65.7 -24.92 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.805 -171.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.22 -22.91 61.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 111.315 -175.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HZ2' ' CG ' ' A' ' 24' ' ' ASP . 56.0 mttp -100.07 9.12 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.582 ' CZ2' HG23 ' A' ' 25' ' ' ILE . 41.0 m0 -56.78 -48.27 97.58 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.769 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 15.5 Cg_endo -57.81 -19.74 40.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.391 2.061 . . . . 0.0 113.085 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.24 -23.98 77.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.832 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.39 -47.33 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.178 0.513 . . . . 0.0 110.398 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -78.91 166.38 22.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.468 -176.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 p -124.74 29.68 6.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.576 ' HG2' ' HE1' ' A' ' 54' ' ' MET . 32.4 tt0 -125.86 -25.41 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -174.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -117.27 160.31 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.228 -0.295 . . . . 0.0 111.207 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.93 -63.0 1.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.325 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.554 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 35.9 m -118.39 111.71 19.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.965 0.412 . . . . 0.0 111.002 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.1 t -102.39 103.3 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -103.56 132.43 49.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -174.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.507 HG23 HD13 ' A' ' 25' ' ' ILE . 21.5 t -77.89 125.61 37.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.227 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.9 mt -95.2 -19.73 19.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.353 0.596 . . . . 0.0 109.852 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.18 -176.85 23.99 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -156.23 137.53 13.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 117.614 0.707 . . . . 0.0 111.856 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.643 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 38.7 t70 -91.83 72.5 5.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.676 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 61.72 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.542 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -95.12 -27.78 15.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.782 0.325 . . . . 0.0 110.905 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.689 ' HG2' HG22 ' A' ' 70' ' ' VAL . 97.3 mttt -79.97 97.31 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.748 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 69' ' ' ARG . 10.9 p -89.2 121.17 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.505 0.669 . . . . 0.0 110.309 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 m -100.63 113.9 27.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.618 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.448 ' HB3' HD12 ' A' ' 25' ' ' ILE . 43.6 p90 -123.71 155.99 36.8 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.517 0.675 . . . . 0.0 111.679 -176.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -102.86 113.04 26.14 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.677 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 64' ' ' SER . 13.1 mt -85.32 90.66 7.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 64.2 m -83.8 97.77 9.35 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.633 0.73 . . . . 0.0 109.042 172.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.576 ' HE1' ' HG2' ' A' ' 34' ' ' GLU . 12.5 ttt -82.77 157.33 23.28 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.123 -174.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 18.3 p-80 -58.72 139.17 86.35 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.393 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HG3' HG23 ' A' ' 62' ' ' VAL . 26.6 Cg_exo -62.63 140.05 78.93 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.597 2.198 . . . . 0.0 112.029 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.596 ' HB2' ' CZ2' ' A' ' 63' ' ' TRP . 17.7 t70 -79.58 170.04 17.14 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.36 -21.12 63.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.331 0.586 . . . . 0.0 109.948 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.43 -25.0 68.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.779 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.42 -2.61 68.03 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.098 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -83.09 129.64 35.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.418 HG23 ' HG3' ' A' ' 56' ' ' PRO . 41.6 t -96.44 108.56 21.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 176.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.596 ' CZ2' ' HB2' ' A' ' 57' ' ' ASP . 4.7 m0 -79.34 103.49 9.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.312 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 17.0 t -125.64 102.79 7.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.1 p90 -121.61 171.63 8.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.952 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.7 t -96.4 144.64 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.076 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -143.11 141.46 31.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.832 0.348 . . . . 0.0 110.184 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -109.4 128.47 55.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.374 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.409 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 30.9 ttp85 -118.37 105.84 12.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.867 0.365 . . . . 0.0 110.048 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.689 HG22 ' HG2' ' A' ' 47' ' ' LYS . 40.0 t -90.54 118.2 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.798 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -105.91 113.65 27.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.537 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.1 100.79 18.4 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 14.4 Cg_exo -69.67 -15.68 37.54 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.264 2.643 . . . . 0.0 112.897 -175.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.3 t -81.37 -41.32 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.321 0.581 . . . . 0.0 110.145 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 m -89.19 -13.66 37.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.691 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? 59.52 41.61 18.83 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.906 -175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.1 m -134.15 132.51 39.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.331 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.523 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 48.4 t -114.77 136.66 50.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.038 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -125.31 117.54 24.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.813 0.34 . . . . 0.0 110.631 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -111.3 113.68 26.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.607 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.445 ' HB3' ' ND2' ' A' ' 92' ' ' ASN . 13.2 pt20 -112.11 141.97 45.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.627 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.611 HH21 ' HG3' ' A' ' 91' ' ' MET . 39.6 mtm180 -98.2 135.37 39.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.436 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.5 t -76.47 -34.93 25.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.359 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.47 138.51 43.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.181 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.596 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 22.5 p -116.1 -156.95 0.63 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.761 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.449 ' H ' ' HB ' ' A' ' 85' ' ' THR . . . -172.79 -107.98 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.75 -27.09 44.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.367 2.045 . . . . 0.0 110.77 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' O ' ' HB ' ' A' ' 85' ' ' THR . 74.5 m-85 -94.87 135.54 36.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.202 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -81.06 -36.95 29.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.449 0.642 . . . . 0.0 109.856 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.543 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 49.6 t80 -129.95 135.78 48.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.848 -176.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.611 ' HG3' HH21 ' A' ' 82' ' ' ARG . 83.2 mmm -141.99 99.84 3.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.677 0.275 . . . . 0.0 111.465 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.445 ' ND2' ' HB3' ' A' ' 81' ' ' GLN . 12.3 t-20 -131.42 107.46 8.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 20.0 mt -92.42 117.4 35.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.811 0.339 . . . . 0.0 110.419 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 39.4 t -105.69 117.18 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.972 -176.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.523 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 49.3 m0 -102.0 101.09 11.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.7 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 107' ' ' ARG . 28.5 tt0 -99.96 125.42 45.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -102.41 114.53 28.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.304 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.69 132.61 51.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.644 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.1 138.42 40.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.135 0.493 . . . . 0.0 110.87 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.453 ' OG1' HG23 ' A' ' 105' ' ' VAL . 18.4 m -140.28 161.89 36.59 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.472 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.25 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.22 5.15 31.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.411 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 156.13 -169.1 33.65 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 119.023 -1.56 . . . . 0.0 113.352 -176.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.469 ' OG1' ' HG2' ' A' ' 15' ' ' MET . 5.3 m -98.91 123.54 43.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.471 -0.365 . . . . 0.0 111.185 -176.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.453 HG23 ' OG1' ' A' ' 100' ' ' THR . 69.6 t -86.27 112.59 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 170.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.404 ' HE1' ' HB3' ' A' ' 106' ' ' MET . 44.8 ttp -94.08 115.77 28.11 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.547 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 19.9 ttm-85 -88.63 98.15 11.51 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.89 85.62 6.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.123 0.487 . . . . 0.0 109.838 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.557 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 56.8 m -89.14 98.93 12.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.448 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -89.06 95.58 10.37 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.77 100.24 13.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.603 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -123.17 167.64 13.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.252 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 90' ' ' TYR . . . -144.95 128.6 17.15 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.493 176.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.402 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 77.1 mtp -105.81 168.74 8.91 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.362 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -169.79 -44.43 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 123.776 0.673 . . . . 0.0 111.149 -176.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.414 ' C ' ' H ' ' A' ' 118' ' ' ALA . 51.6 Cg_exo -43.28 161.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.365 1.415 0 C-N-CA 122.075 1.85 . . . . 0.0 112.565 170.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.04 31.85 0.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.628 0.728 . . . . 0.0 111.03 -168.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -63.71 139.79 97.69 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.374 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 13.8 Cg_exo -70.44 -2.2 10.27 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.128 2.552 . . . . 0.0 112.81 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.6 m -110.09 124.4 66.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.2 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.83 175.65 10.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.874 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -55.37 -45.31 76.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.599 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.92 98.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.675 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -64.35 -42.54 96.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.979 0.419 . . . . 0.0 110.048 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.402 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 90.9 mmm -69.47 -37.84 77.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 91.7 m -57.69 -44.88 86.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.994 0.426 . . . . 0.0 109.999 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.81 -46.28 91.16 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.638 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -57.43 -49.8 75.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.712 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.431 ' CG2' HG23 ' A' ' 5' ' ' THR . 98.8 mt -63.91 -37.0 78.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.122 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -52.06 -47.71 64.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.539 0.209 . . . . 0.0 110.846 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -67.65 -53.75 25.33 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.192 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.03 -48.97 78.47 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.271 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' ' 137' ' ' MET . 28.3 t -60.61 -52.5 64.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.775 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -56.09 -35.19 66.73 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 38.8 m -69.34 -54.38 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.989 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -69.7 -33.52 72.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.68 -176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.464 ' HB3' HG22 ' A' ' 9' ' ' ILE . 29.7 mmt -64.82 -38.62 91.61 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.67 81.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.97 0.414 . . . . 0.0 110.572 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.7 tt -67.94 -49.33 62.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.028 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.495 ' O ' HG12 ' A' ' 144' ' ' ILE . 65.9 mt -63.69 -48.94 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.682 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -41.72 72.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.996 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.583 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 14.1 t70 -60.54 -48.4 81.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.067 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -68.08 -36.11 79.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.162 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 140' ' ' ILE . 36.0 mm -59.47 -47.39 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.144 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.44 -31.27 71.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.015 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . 0.583 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 50.0 mt-30 -63.2 -52.47 62.17 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.088 0.471 . . . . 0.0 110.301 174.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.83 91.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.143 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.479 ' HA ' HD22 ' A' ' 17' ' ' LEU . . . -73.41 -15.05 61.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.67 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -85.59 -30.97 22.86 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.526 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -80.42 -57.74 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.512 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 62.52 99.14 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.265 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -73.9 -32.65 63.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.335 0.588 . . . . 0.0 109.557 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.9 p -74.83 144.99 43.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.666 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -94.21 173.84 7.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.709 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 16.4 m -73.41 -53.57 10.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.286 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 65.6 t -109.68 114.97 48.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.944 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 52.1 tp -86.04 96.0 9.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.337 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -104.37 -168.15 1.45 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.479 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.68 153.79 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.329 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.45 -11.88 59.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 110.045 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.405 ' HB2' ' CD2' ' A' ' 163' ' ' HIS . 22.8 mt-10 -137.22 133.33 35.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.42 -0.809 . . . . 0.0 108.89 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -80.94 85.64 6.2 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.849 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . 0.405 ' CD2' ' HB2' ' A' ' 161' ' ' GLU . 33.1 m-70 -71.88 131.24 42.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -78.64 -29.24 45.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.146 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -108.34 90.89 3.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.09 0.471 . . . . 0.0 109.799 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -80.32 114.29 19.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.067 -179.233 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 121.042 0.448 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.16 154.89 45.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.993 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.92 90.77 1.19 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.969 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -93.03 89.52 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.114 0.483 . . . . 0.0 109.977 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.3 m -101.16 113.51 26.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.824 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -99.18 95.98 7.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.494 0.664 . . . . 0.0 110.555 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.775 HD22 HG22 ' A' ' 129' ' ' ILE . 91.9 m-20 -91.62 94.87 9.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.552 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.641 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 24.4 mt-10 -101.53 110.7 22.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.515 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.497 HG22 ' HB3' ' A' ' 137' ' ' MET . 14.5 tt -118.6 131.7 70.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.112 0.482 . . . . 0.0 110.294 175.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.8 m -84.22 113.22 20.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.773 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.439 HG23 HG22 ' A' ' 144' ' ' ILE . 30.8 mm -86.56 138.93 18.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.242 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.46 37.97 0.53 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 0.0 111.053 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.53 146.57 32.99 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.024 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.429 ' O ' HG23 ' A' ' 18' ' ' VAL . 46.5 Cg_endo -69.29 161.8 44.4 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.679 2.253 . . . . 0.0 112.234 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.464 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 83.6 mtp -60.22 -20.94 61.01 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.697 ' HB3' HG21 ' A' ' 153' ' ' THR . 27.4 mt-10 -52.79 -62.74 1.45 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.451 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.94 -32.74 61.84 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.184 -0.207 . . . . 0.0 110.89 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' HB ' ' HA ' ' A' ' 15' ' ' MET . 72.9 t -56.5 -54.81 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.027 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -65.11 -42.32 94.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -32.83 63.88 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.262 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.3 mmm -92.36 -41.52 10.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.5 p -74.93 -24.4 58.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.74 0.305 . . . . 0.0 111.734 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.494 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 65.0 t30 -72.01 -24.92 61.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.289 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.7 94.84 8.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.1 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.525 HD11 HG21 ' A' ' 40' ' ' VAL . 36.0 pt -70.35 -19.73 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.39 -171.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.65 -8.39 57.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -103.0 -2.85 26.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.519 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 45.6 m0 -57.96 -51.8 79.15 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.512 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 45.3 Cg_exo -57.61 -27.54 77.49 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 122.324 2.016 . . . . 0.0 113.061 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.5 -39.04 57.4 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.896 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mp -86.33 -48.3 8.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.714 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.418 ' CD2' HD11 ' A' ' 140' ' ' ILE . 0.3 OUTLIER -97.19 103.37 15.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 m -88.47 82.78 6.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.218 0.532 . . . . 0.0 111.198 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -159.86 -46.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.334 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.452 ' HD1' ' SD ' ' A' ' 54' ' ' MET . 29.6 m-85 -79.46 130.97 35.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.309 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.47 86.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.838 0.352 . . . . 0.0 110.998 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.4 t -165.96 153.42 10.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.295 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.506 HG11 ' HB ' ' A' ' 25' ' ' ILE . 98.9 t -110.85 103.22 15.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -94.25 131.7 39.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.285 -173.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.525 HG21 HD11 ' A' ' 25' ' ' ILE . 38.3 t -78.83 105.24 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.895 177.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.3 tp -82.0 -27.27 33.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.389 0.614 . . . . 0.0 109.563 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.37 -176.56 35.31 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.116 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 48' ' ' VAL . 64.6 mtp180 -132.84 124.93 28.88 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.833 0.316 . . . . 0.0 110.522 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -81.88 68.92 8.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 57.68 -85.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.62 -1.173 . . . . 0.0 112.286 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.08 -12.93 42.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.971 0.415 . . . . 0.0 110.565 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -107.0 165.84 11.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.168 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.566 HG13 ' HB3' ' A' ' 69' ' ' ARG . 7.3 p -126.09 123.54 64.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 110.035 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.1 m -101.68 116.13 32.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.237 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 67' ' ' SER . 36.1 p90 -119.65 146.28 45.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.134 0.492 . . . . 0.0 110.819 -175.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -110.56 117.09 32.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.715 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.5 mt -83.46 113.68 20.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.6 p -95.09 121.55 36.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.865 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.466 ' HB2' ' HB2' ' A' ' 63' ' ' TRP . 86.9 mmm -106.42 168.57 9.07 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 7.4 p80 -63.5 134.6 95.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.025 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.517 ' HG3' HG21 ' A' ' 62' ' ' VAL . 22.7 Cg_exo -65.23 153.0 80.34 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.847 2.364 . . . . 0.0 112.35 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.19 164.29 13.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.614 174.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.37 61.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 110.869 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.03 -29.98 66.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.548 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.4 -3.39 20.19 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.633 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -73.96 116.42 14.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.829 0.347 . . . . 0.0 110.435 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.517 HG21 ' HG3' ' A' ' 56' ' ' PRO . 43.6 t -80.67 118.61 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.491 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.466 ' HB2' ' HB2' ' A' ' 54' ' ' MET . 19.7 m0 -79.87 117.26 20.57 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -150.34 136.31 18.5 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.48 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.455 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 7.4 p90 -137.53 137.17 38.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.039 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.0 t -83.11 140.46 16.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.423 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 16.5 m -140.36 155.53 46.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.471 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.84 121.1 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.681 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.566 ' HB3' HG13 ' A' ' 48' ' ' VAL . 46.3 ttt-85 -105.28 116.93 32.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.38 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.31 114.1 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.186 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.69 109.3 20.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.506 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 17.8 t70 -97.21 111.65 58.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.977 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 5.0 Cg_exo -78.38 -11.45 15.9 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.259 2.639 . . . . 0.0 113.028 -175.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -82.83 -51.28 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.282 0.563 . . . . 0.0 110.077 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m -83.83 -19.39 35.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.749 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 61.13 50.81 4.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.151 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.3 m -134.63 132.6 39.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.806 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.507 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 60.4 t -114.28 124.97 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.634 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -108.91 115.12 29.47 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.196 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.01 96.06 6.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.368 0.604 . . . . 0.0 109.879 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -97.7 134.03 41.43 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.381 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.594 HH12 ' HA ' ' A' ' 85' ' ' THR . 41.0 mtm105 -95.11 118.01 31.17 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.332 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.4 t -71.7 -40.85 70.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.211 0.529 . . . . 0.0 109.717 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 43.4 mt-10 -102.02 149.14 24.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.042 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.594 ' HA ' HH12 ' A' ' 82' ' ' ARG . 7.0 t -151.43 176.21 11.51 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.029 -176.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.435 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . -126.08 -97.24 1.05 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.772 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 4.7 Cg_exo -75.28 2.29 6.93 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.887 2.391 . . . . 0.0 112.434 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -109.06 137.02 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -82.55 -30.44 29.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.278 0.561 . . . . 0.0 110.064 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -150.98 153.05 34.45 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.0 ttm -166.91 110.02 0.71 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.179 0.514 . . . . 0.0 111.821 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -119.39 116.97 27.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.502 HG22 ' HG2' ' A' ' 110' ' ' GLN . 40.7 mt -95.28 103.07 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.871 0.367 . . . . 0.0 110.55 -175.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.8 t -90.39 109.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.048 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.507 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 30.4 m0 -86.1 94.26 9.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.392 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -96.12 125.31 40.56 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -106.12 114.79 29.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.878 0.371 . . . . 0.0 110.693 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.555 ' HB1' ' HB ' ' A' ' 105' ' ' VAL . . . -106.43 101.94 11.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.296 0.57 . . . . 0.0 110.091 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.427 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 41.7 tt0 -61.91 129.51 41.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.715 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -128.46 169.44 14.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.59 -42.63 98.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.659 0.266 . . . . 0.0 111.68 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.89 -39.19 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.525 -175.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 11' ' ' ILE . . . -166.68 -169.21 29.99 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.449 -0.882 . . . . 0.0 112.268 -178.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m -99.9 125.41 45.88 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.542 0.211 . . . . 0.0 111.048 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.555 ' HB ' ' HB1' ' A' ' 98' ' ' ALA . 74.9 t -78.57 100.46 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 170.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 46.0 ttp -83.88 105.31 14.67 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.641 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 23.2 ttt180 -105.68 103.3 12.78 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.027 -172.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -86.28 92.25 8.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.845 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.6 m -90.71 96.4 10.62 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.496 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.502 ' HG2' HG22 ' A' ' 93' ' ' ILE . 82.7 mt-30 -89.26 114.08 25.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.985 0.421 . . . . 0.0 110.879 -177.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -91.8 92.66 8.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -127.38 159.2 35.18 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.533 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.37 127.68 24.48 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.808 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.804 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 81.1 mtp -116.94 -156.55 0.63 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 114' ' ' MET . 34.1 mtmm 101.54 -14.79 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 115' ' ' LYS . 58.3 Cg_endo -72.13 87.29 0.89 Allowed 'Trans proline' 0 C--N 1.369 1.619 0 CA-C-N 122.725 2.009 . . . . 0.0 112.569 177.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 38.6 t70 60.25 66.25 0.98 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.59 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -141.97 131.07 12.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.04 -23.74 46.01 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.861 2.374 . . . . 0.0 112.147 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.4 m -99.11 136.72 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.361 0.6 . . . . 0.0 110.612 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.602 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 23.2 t70 -93.88 168.49 10.94 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.463 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.32 -37.67 62.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.0 86.24 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.535 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.602 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 99.1 m95 -62.86 -43.52 98.57 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.988 0.423 . . . . 0.0 110.529 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.804 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 98.2 mmm -70.92 -31.69 68.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.463 -177.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 86.4 m -58.5 -51.14 71.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 110.297 176.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.39 -42.59 83.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.892 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.01 -53.64 56.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.62 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.775 HG22 HD22 ' A' ' 7' ' ' ASN . 72.0 mt -61.69 -39.05 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.736 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.525 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 3.6 t-20 -57.26 -51.05 70.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.434 ' O ' ' HB3' ' A' ' 134' ' ' ARG . 46.7 mtm105 -74.82 -38.75 61.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.73 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.13 -36.03 82.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 110.444 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.6 t -66.86 -39.06 87.45 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 131' ' ' ARG . 38.2 ttt180 -54.37 -44.48 72.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.218 174.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 25.3 m -67.63 -52.5 37.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.357 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -65.16 -45.06 86.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.856 0.36 . . . . 0.0 111.878 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.497 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -73.39 -19.53 60.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.111 -176.459 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.56 -46.91 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 168.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.96 -45.41 82.86 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.159 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' A' ' 32' ' ' PHE . 81.0 mt -66.01 -43.55 92.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.247 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -56.96 -49.34 76.01 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.137 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.499 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 4.1 m-20 -56.32 -46.89 79.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.021 0.439 . . . . 0.0 110.454 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -71.06 -29.45 65.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.968 -176.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.439 HG22 HG23 ' A' ' 11' ' ' ILE . 21.0 mm -66.47 -44.24 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.049 0.452 . . . . 0.0 109.888 172.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.66 -38.13 86.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.337 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 98.4 mt-30 -63.13 -35.83 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.487 175.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.6 62.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.658 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.27 68.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.074 0.464 . . . . 0.0 110.838 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -71.75 -29.39 67.52 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 175.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -77.08 -48.67 17.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.964 0.411 . . . . 0.0 110.111 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -132.93 125.18 29.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.681 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -104.89 -178.1 3.56 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.697 HG21 ' HB3' ' A' ' 16' ' ' GLU . 18.8 p -95.34 145.26 25.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.081 0.467 . . . . 0.0 111.009 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -80.8 164.44 22.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.947 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.7 p -80.78 -29.15 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.048 0.451 . . . . 0.0 109.984 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 39.1 t -87.53 109.87 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.552 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 90.6 mt -91.6 -13.65 31.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -90.53 171.23 9.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.6 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -87.95 95.3 10.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.095 0.474 . . . . 0.0 110.099 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 62.6 tp -118.22 104.55 10.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.417 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.22 147.21 28.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.257 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -92.16 90.19 7.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 168.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . 0.429 ' O ' ' HD2' ' A' ' 166' ' ' HIS . 31.2 m170 -72.6 168.46 18.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.034 -174.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -76.37 -21.17 56.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.861 -174.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -80.77 67.93 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.533 0.682 . . . . 0.0 110.732 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.429 ' HD2' ' O ' ' A' ' 163' ' ' HIS . 92.2 m-70 -145.63 -96.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 171.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 . . . . . 0 C--O 1.245 0.817 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 175.161 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.61 111.74 18.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.806 0.336 . . . . 0.0 110.467 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.08 110.43 3.25 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.866 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -91.32 78.26 5.77 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.538 HG21 HG21 ' A' ' 126' ' ' THR . 21.8 m -83.7 96.29 8.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.986 0.422 . . . . 0.0 110.932 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -105.84 94.97 5.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.275 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.654 ' OD1' ' HA ' ' A' ' 130' ' ' ASN . 0.8 OUTLIER -104.33 142.47 34.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.658 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.549 ' HB2' ' HG3' ' A' ' 107' ' ' ARG . 39.0 tt0 -130.98 148.46 52.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 -172.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.49 HG21 ' HB3' ' A' ' 137' ' ' MET . 13.5 tt -156.07 139.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.987 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.1 m -98.94 111.19 23.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.903 0.383 . . . . 0.0 110.919 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.6 mt -90.47 127.77 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.285 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.92 78.24 9.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.162 0.506 . . . . 0.0 110.758 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.64 152.02 10.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.705 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.443 ' O ' HG23 ' A' ' 18' ' ' VAL . 32.1 Cg_exo -58.63 133.01 51.52 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.66 2.24 . . . . 0.0 111.886 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 68.1 mtp -54.5 -30.93 54.97 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.612 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.44 -62.8 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.604 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 7.2 mp -61.18 -32.33 72.08 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.472 HG21 HG22 ' A' ' 144' ' ' ILE . 84.1 t -59.88 -55.25 25.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.705 0.288 . . . . 0.0 110.619 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -63.78 -39.16 93.58 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.294 0.569 . . . . 0.0 109.618 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.604 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 18.8 m -56.41 -46.49 80.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.906 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.1 mtp -76.44 -32.81 58.67 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.8 p -85.54 -11.55 53.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.654 0.264 . . . . 0.0 111.544 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.553 ' HA ' HH22 ' A' ' 69' ' ' ARG . 48.1 t-20 -62.18 -61.99 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -71.95 124.95 26.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.849 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.516 HD12 HG21 ' A' ' 40' ' ' VAL . 27.7 pt -76.65 -19.59 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.074 -176.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.61 -5.91 47.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.56 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -95.92 -14.17 23.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.402 . . . . 0.0 110.194 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.549 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 46.6 m0 -58.79 -46.1 99.58 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.653 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 19.6 Cg_endo -61.15 -13.33 27.44 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 122.189 1.926 . . . . 0.0 112.811 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.62 -21.77 61.28 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.532 176.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.995 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 7.9 mp -102.05 -42.79 5.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.4 106.63 18.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.082 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -62.58 -27.31 69.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.927 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -77.43 -11.95 59.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.776 -175.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -92.25 99.94 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.71 -30.19 59.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.624 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.519 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 66.1 m -152.57 142.82 22.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.785 177.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.423 HG21 ' HD3' ' A' ' 29' ' ' PRO . 61.8 t -127.46 101.57 7.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 172.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -93.81 134.31 36.29 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 0.0 111.203 -173.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.516 HG21 HD12 ' A' ' 25' ' ' ILE . 6.4 t -89.67 112.76 24.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.077 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' A' ' 51' ' ' ARG . 9.0 mp -85.78 -23.02 27.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.973 0.415 . . . . 0.0 110.407 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.47 158.88 10.56 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.079 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' HG2' HG22 ' A' ' 48' ' ' VAL . 57.8 mtp180 -138.54 110.59 7.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.977 0.418 . . . . 0.0 110.749 177.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.641 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 8.6 m-20 -93.94 65.76 3.54 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 63.46 -85.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.93 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.54 -17.91 29.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.335 0.588 . . . . 0.0 110.21 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.641 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 60.9 mttm -89.83 133.14 34.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.553 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.535 HG12 ' HB3' ' A' ' 69' ' ' ARG . 4.8 p -130.84 118.61 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.382 0.61 . . . . 0.0 110.382 173.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -98.71 115.86 29.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.565 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -127.06 158.3 37.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.019 0.437 . . . . 0.0 110.972 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HB2' HD13 ' A' ' 41' ' ' LEU . 43.8 ttp180 -125.72 120.05 29.62 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.698 ' O ' ' HA ' ' A' ' 64' ' ' SER . 82.2 mt -89.5 114.27 25.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.847 -177.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.519 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 97.3 m -100.22 110.98 23.24 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.667 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.401 ' HB3' ' H ' ' A' ' 55' ' ' HIS . 41.6 mtt -92.45 -163.5 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.22 0.533 . . . . 0.0 111.336 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 21.7 p-80 -60.46 148.03 81.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.458 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 55' ' ' HIS . 8.1 Cg_exo -73.61 127.78 12.02 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.647 2.231 . . . . 0.0 110.695 169.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -72.3 165.55 24.24 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.44 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.94 -30.97 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.571 0.348 . . . . 0.0 111.76 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -79.73 -4.76 53.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 110.968 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.01 17.89 52.29 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.489 -175.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -89.84 111.01 21.91 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.77 120.52 37.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -81.19 88.71 6.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.36 0.6 . . . . 0.0 110.081 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.698 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 9.4 t -125.65 124.85 42.06 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.71 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.514 ' HB2' ' HB3' ' A' ' 84' ' ' GLU . 12.9 p90 -134.53 147.95 50.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.025 0.44 . . . . 0.0 111.384 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.66 137.51 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.925 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.5 m -146.03 150.65 36.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.037 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -107.77 135.71 48.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.981 0.419 . . . . 0.0 110.55 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.553 HH22 ' HA ' ' A' ' 23' ' ' ASN . 33.6 ttt180 -124.83 130.18 51.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.916 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.4 t -111.31 121.31 63.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.246 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -96.63 106.11 18.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.808 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.545 ' HB3' ' O ' ' A' ' 77' ' ' THR . 0.6 OUTLIER -99.04 109.75 55.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.03 0.443 . . . . 0.0 110.982 177.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -87.12 -3.34 7.93 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.836 2.358 . . . . 0.0 112.561 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.1 t -84.35 -51.51 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.005 0.431 . . . . 0.0 110.399 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -100.05 3.88 44.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.251 0.548 . . . . 0.0 109.856 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.477 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 82.0 mtt180 60.79 36.27 19.25 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.478 175.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.545 ' O ' ' HB3' ' A' ' 72' ' ' ASP . 86.8 m -122.05 124.11 43.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.012 -175.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.578 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 44.6 t -98.75 129.83 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.523 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 27.5 mmt180 -105.56 98.88 8.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.31 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.7 101.45 9.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.868 0.366 . . . . 0.0 110.089 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -112.51 140.52 47.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.307 0.575 . . . . 0.0 111.029 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -84.72 112.84 20.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.29 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.3 t -72.83 -36.2 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.514 ' HB3' ' HB2' ' A' ' 65' ' ' TRP . 7.2 tp10 -99.73 101.79 13.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.385 175.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -101.03 -80.35 0.49 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -176.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.49 -102.73 2.04 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.274 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.62 -14.26 43.87 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.05 2.5 . . . . 0.0 112.145 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -111.83 165.12 12.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.636 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.821 ' HB2' ' HB2' ' A' ' 115' ' ' LYS . 10.4 tt0 -99.77 -56.09 2.48 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.93 0.395 . . . . 0.0 110.1 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -137.35 127.02 25.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.031 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 84.0 mtp -131.25 114.73 15.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.551 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -117.3 109.94 17.46 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.524 HG22 ' HG2' ' A' ' 110' ' ' GLN . 48.8 mt -92.23 111.82 24.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.972 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.562 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 41.4 t -98.25 111.35 27.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.768 -178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.578 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 11.7 m0 -92.54 96.04 9.98 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 174.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -96.83 113.13 24.66 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.836 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -90.4 117.56 29.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.93 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.521 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . . . -106.59 118.69 37.33 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.327 0.584 . . . . 0.0 111.092 -175.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.477 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 45.3 tt0 -63.76 113.36 3.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.962 176.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.9 m -130.78 157.93 41.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.21 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.29 -17.51 62.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.871 -176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -92.98 -22.98 18.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.915 0.388 . . . . 0.0 111.198 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.61 -169.27 32.86 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.047 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.7 m -80.52 108.33 14.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.87 0.366 . . . . 0.0 110.566 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' A' ' 98' ' ' ALA . 40.3 t -81.35 115.58 24.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.054 0.454 . . . . 0.0 110.182 177.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 46.6 ttp -103.57 112.24 25.07 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.549 ' HG3' ' HB2' ' A' ' 8' ' ' GLU . 23.8 ttm105 -112.23 114.05 26.62 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.117 -176.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -92.49 91.99 7.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.256 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.562 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 5.4 m -83.96 92.5 7.84 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.623 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.524 ' HG2' HG22 ' A' ' 93' ' ' ILE . 67.1 mt-30 -89.14 90.95 8.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -92.73 101.6 14.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.161 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.417 ' HE2' ' HG1' ' A' ' 5' ' ' THR . 46.5 p90 -121.99 148.91 44.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.395 0.616 . . . . 0.0 111.803 -175.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -120.13 133.68 55.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.208 173.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 47.6 mtp -95.07 -175.54 3.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.087 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.821 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 86.3 tttt -158.55 -55.13 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -173.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.785 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 12.1 Cg_exo -71.94 -149.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.365 2.044 . . . . 0.0 112.854 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -58.03 -38.18 75.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.806 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 50.41 77.28 0.47 Allowed Pre-proline 0 CA--C 1.534 0.349 0 O-C-N 123.817 0.698 . . . . 0.0 112.135 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.04 -32.08 54.15 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.434 2.089 . . . . 0.0 111.154 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.3 m -98.51 133.35 41.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.396 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.44 170.37 12.76 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.71 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -56.37 -41.18 75.78 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.26 98.62 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.404 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -69.99 -40.32 75.4 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.233 -0.587 . . . . 0.0 109.737 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.427 ' O ' HG13 ' A' ' 129' ' ' ILE . 82.4 mmm -61.94 -54.8 36.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.566 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.538 HG21 HG21 ' A' ' 5' ' ' THR . 47.7 m -56.05 -41.84 75.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.942 0.401 . . . . 0.0 111.323 -178.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.2 -39.23 68.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.449 . . . . 0.0 111.02 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -62.76 -48.06 80.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.112 0.482 . . . . 0.0 110.334 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 125' ' ' MET . 91.4 mt -62.44 -30.5 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.372 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.654 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 3.6 t-20 -58.66 -50.58 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.58 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -63.04 -40.62 98.27 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.955 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -61.88 -46.98 87.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.464 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.7 m -62.12 -42.35 99.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.677 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.0 ttp85 -53.36 -54.05 42.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.038 0.446 . . . . 0.0 110.158 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 29.1 m -66.69 -53.57 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.878 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -71.09 -44.3 65.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.49 ' HB3' HG21 ' A' ' 9' ' ' ILE . 19.8 mmt -74.14 -25.72 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.947 -174.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.95 85.54 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 171.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.26 -45.0 96.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.183 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.486 HG22 HD23 ' A' ' 31' ' ' LEU . 72.0 mt -62.35 -44.21 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.229 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 -57.39 -51.89 67.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.521 0.201 . . . . 0.0 110.773 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -38.48 88.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.995 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 2.2 tpm_? -60.23 -50.48 73.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.979 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.472 HG22 HG21 ' A' ' 18' ' ' VAL . 66.0 mt -68.75 -45.49 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.73 -43.46 94.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.967 0.413 . . . . 0.0 110.231 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -59.23 -54.76 43.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.877 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.92 81.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.484 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 152' ' ' ARG . . . -71.3 -37.5 71.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.308 177.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -70.35 -45.11 56.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.755 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.22 -37.72 88.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.681 0.277 . . . . 0.0 111.384 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -93.05 -1.61 56.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -175.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 148' ' ' ALA . 21.6 ttp-105 -70.62 -31.97 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.455 0.645 . . . . 0.0 109.486 177.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 28.3 m -144.3 83.77 1.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.696 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -132.5 132.17 42.38 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.049 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 28.4 m 74.0 124.43 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 O-C-N 124.385 1.053 . . . . 0.0 111.173 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 52.3 t -56.48 -44.18 79.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.241 0.543 . . . . 0.0 109.936 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 94.1 mt -103.94 96.63 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 172.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -91.36 157.7 16.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.536 -174.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -71.19 -14.1 62.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.54 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.44 -25.58 68.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.167 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -91.1 111.86 23.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.541 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -80.37 93.47 5.97 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -76.09 175.0 9.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.576 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -94.81 0.2 54.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.92 0.391 . . . . 0.0 111.131 -177.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.78 148.49 33.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.091 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -85.39 -43.88 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.04 0.448 . . . . 0.0 109.967 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 . . . . . 0 C--O 1.245 0.836 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.606 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 ttm . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.831 0.348 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -166.46 137.96 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.63 ' HA3' ' CE1' ' A' ' 112' ' ' PHE . . . -124.33 112.84 1.88 Allowed Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.064 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -109.12 101.02 10.11 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.767 0.318 . . . . 0.0 110.175 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 m -112.16 109.41 19.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -95.61 103.12 14.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.515 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.452 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 40.2 m-80 -95.03 96.55 9.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.928 0.394 . . . . 0.0 110.251 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -97.51 137.11 36.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.303 -174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 tt -142.53 137.7 28.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.978 0.418 . . . . 0.0 110.758 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 m -96.55 112.05 23.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.509 HG21 ' HG3' ' A' ' 141' ' ' ARG . 57.7 mt -102.12 132.65 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.12 36.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.026 0.441 . . . . 0.0 111.545 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.09 147.39 44.54 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.391 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.28 137.26 80.86 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.817 2.344 . . . . 0.0 112.059 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.417 ' HE3' ' HB3' ' A' ' 97' ' ' TYR . 44.3 mtp -50.98 -38.04 48.53 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.86 -60.72 3.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.603 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 24.8 tp -63.63 -33.66 76.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.833 0.288 . . . . 0.0 111.468 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.6 t -60.23 -54.22 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.897 0.379 . . . . 0.0 110.396 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -57.73 -44.01 85.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.506 0.67 . . . . 0.0 109.451 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.603 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 17.0 m -57.77 -45.77 85.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.431 -1.258 . . . . 0.0 112.392 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 91.8 mtp -78.68 -40.74 33.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.68 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 24.7 p -72.21 -25.18 61.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -88.24 -10.88 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.55 0.204 . . . . 0.0 111.55 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -81.5 77.51 8.36 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.512 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 26.5 pt -67.48 -15.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.204 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.46 -13.62 61.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.328 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -117.78 21.74 12.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.0 111.146 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.512 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 9.7 m0 -54.46 -42.87 96.72 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 175.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -59.22 -8.12 6.05 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.424 2.082 . . . . 0.0 113.446 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.67 -10.52 67.24 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.861 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -120.24 -46.66 2.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -93.59 150.89 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.041 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.7 m -100.73 -28.9 12.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.598 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -75.72 -41.84 52.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.204 -174.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -78.81 95.65 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.383 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.52 -37.89 24.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.392 -177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.526 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 56.4 m -129.56 110.05 11.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.239 0.542 . . . . 0.0 111.426 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 28' ' ' TRP . 60.5 t -105.2 98.89 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.91 105.09 15.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -172.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.42 HG23 HD13 ' A' ' 25' ' ' ILE . 27.3 t -68.33 126.38 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.94 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.78 -37.62 11.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.954 0.407 . . . . 0.0 110.744 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.87 157.46 29.5 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.484 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -128.92 91.15 3.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.803 0.335 . . . . 0.0 110.736 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 8.1 m-20 -82.38 167.43 18.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -52.17 -39.92 60.74 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.481 0.488 . . . . 0.0 112.079 -173.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -132.94 15.71 4.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.053 0.454 . . . . 0.0 110.746 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 13.4 mptt -132.42 93.61 3.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.451 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.717 HG11 ' HB3' ' A' ' 69' ' ' ARG . 4.1 p -92.03 102.75 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.687 0.756 . . . . 0.0 109.505 172.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.7 m -81.75 118.32 22.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.41 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' A' ' 69' ' ' ARG . 38.2 p90 -120.82 140.2 52.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.516 0.674 . . . . 0.0 110.96 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 51' ' ' ARG . 6.4 ttt180 -103.47 115.02 29.75 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.673 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 64' ' ' SER . 89.1 mt -87.95 113.17 23.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.19 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.526 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 18.2 m -108.86 120.59 42.95 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.74 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.7 mmt -95.03 161.46 14.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.705 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -61.17 134.67 93.17 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.224 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.486 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 78.1 Cg_exo -51.31 132.9 41.03 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.196 2.598 . . . . 0.0 112.602 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -81.92 -164.16 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.581 -176.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.44 -29.16 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.546 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.64 -19.46 61.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.275 0.56 . . . . 0.0 110.454 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.09 18.58 62.67 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.56 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 88.7 tttt -96.36 142.1 28.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.852 0.358 . . . . 0.0 110.245 -178.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.0 t -85.74 110.13 19.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.804 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -83.5 98.53 9.59 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.425 0.631 . . . . 0.0 110.771 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 15.4 m -118.98 124.32 46.73 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.613 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.495 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 13.2 p90 -128.6 142.95 50.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.037 0.446 . . . . 0.0 111.003 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.8 t -86.83 131.77 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.313 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -136.22 151.53 49.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.716 175.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -111.64 129.26 56.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.73 0.3 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.717 ' HB3' HG11 ' A' ' 48' ' ' VAL . 34.9 ttt85 -103.12 102.16 12.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.084 0.469 . . . . 0.0 110.102 176.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.93 97.92 7.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.746 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.416 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -91.65 96.36 10.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.096 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -96.46 107.36 35.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.539 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 7.7 Cg_exo -73.01 -21.2 21.0 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.909 2.406 . . . . 0.0 111.948 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.9 -45.16 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.255 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.69 12.07 29.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.918 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 56.98 34.2 24.55 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.984 0.421 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -124.14 118.1 26.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.248 -174.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.556 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 49.6 t -107.08 107.37 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 0.0 109.93 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -93.63 107.87 19.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.284 -175.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.496 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -97.97 91.74 5.46 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -94.1 123.59 37.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.669 HH21 HG22 ' A' ' 85' ' ' THR . 21.6 mtm180 -93.06 108.49 20.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.14 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.06 -39.65 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.805 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 38.1 mt-10 -108.07 115.1 29.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.494 176.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.669 HG22 HH21 ' A' ' 82' ' ' ARG . 5.6 m -122.72 5.97 9.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.19 0.519 . . . . 0.0 111.049 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.97 -119.94 8.37 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.012 -0.613 . . . . 0.0 113.101 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.51 -22.85 38.0 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.087 2.525 . . . . 0.0 112.001 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.644 ' HB2' HG23 ' A' ' 85' ' ' THR . 57.0 m-85 -86.04 128.27 34.83 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.781 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 22.4 tm0? -67.13 -43.16 83.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.679 -172.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 75.9 t80 -148.92 149.34 31.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.401 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 52.7 ttm -152.86 110.79 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.901 0.382 . . . . 0.0 110.377 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.487 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 39.0 t-20 -107.15 115.31 29.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.63 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.496 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 16.4 mt -97.93 92.35 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.041 0.448 . . . . 0.0 109.843 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.532 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 85.0 t -90.72 110.33 22.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.04 -177.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.68 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.3 m0 -87.96 96.24 10.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -97.25 121.07 38.72 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.088 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.417 ' HB3' ' HE3' ' A' ' 15' ' ' MET . 63.5 m-85 -101.08 118.93 37.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.496 -178.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 105' ' ' VAL . . . -106.31 113.65 27.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.176 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -72.59 124.86 26.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.11 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.3 m -124.6 157.26 35.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.35 -23.97 65.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 111.506 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -110.69 15.12 22.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.599 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.77 -169.37 28.6 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.01 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.4 m -110.77 119.92 40.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.601 0.238 . . . . 0.0 110.424 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.499 ' HB ' ' HB1' ' A' ' 98' ' ' ALA . 67.9 t -92.19 103.46 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 55.2 ttp -90.42 120.87 31.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -104.42 108.97 20.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.829 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -79.29 83.66 5.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.05 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.532 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 85.5 m -81.26 91.22 6.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.371 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -90.14 100.98 13.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.347 0.594 . . . . 0.0 109.462 176.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -101.76 92.74 4.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.093 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.63 ' CE1' ' HA3' ' A' ' 3' ' ' GLY . 35.8 p90 -111.57 178.39 4.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.724 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -153.66 113.88 3.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.464 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.472 ' HE1' HG23 ' A' ' 120' ' ' VAL . 38.2 mtp -92.95 144.13 25.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.958 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.781 ' HD2' ' HG3' ' A' ' 89' ' ' GLN . 93.2 mttt -147.98 -50.91 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.082 -177.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.613 ' HD3' ' HB2' ' A' ' 115' ' ' LYS . 87.7 Cg_exo -50.84 168.72 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 121.779 1.653 . . . . 0.0 112.477 169.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -87.33 34.5 0.69 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.757 -170.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.27 147.28 37.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.788 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.58 13.36 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.092 2.528 . . . . 0.0 113.883 -174.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.472 HG23 ' HE1' ' A' ' 114' ' ' MET . 14.1 m -134.58 150.58 30.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 0.0 109.867 177.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.67 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 24.4 m-20 -99.18 169.02 9.68 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.385 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.05 -33.23 67.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.12 83.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.355 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.67 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 33.2 m95 -63.89 -35.41 80.57 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.749 0.309 . . . . 0.0 110.53 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 70.0 mtp -66.26 -49.03 68.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.804 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 50.4 m -53.56 -50.1 66.26 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.472 0.482 . . . . 0.0 112.075 -174.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -73.29 -36.55 66.31 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.689 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -66.72 -45.32 79.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.064 0.459 . . . . 0.0 110.007 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.633 HG23 ' HG ' ' A' ' 133' ' ' SER . 63.3 mt -64.09 -38.99 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.56 177.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 50.9 t-20 -47.88 -58.1 4.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.103 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -66.53 -47.15 73.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.257 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -60.98 -52.09 66.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.435 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.633 ' HG ' HG23 ' A' ' 129' ' ' ILE . 57.9 m -69.72 -37.13 76.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.79 -174.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 130' ' ' ASN . 88.7 mtt-85 -60.4 -35.0 74.73 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.408 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 26.9 m -66.47 -42.4 87.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.229 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -70.76 -34.52 71.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 133' ' ' SER . 30.4 mmt -61.05 -43.05 99.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.21 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.97 93.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.451 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.64 -51.24 70.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.458 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.19 -42.56 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.839 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.509 ' HG3' HG21 ' A' ' 11' ' ' ILE . 75.7 ttt180 -61.66 -51.5 68.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.952 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -21.52 62.48 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -177.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -86.78 -52.6 5.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.167 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.9 mt -63.67 -45.74 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.589 0.233 . . . . 0.0 111.436 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.8 -33.08 75.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.03 0.443 . . . . 0.0 110.129 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -70.11 -45.7 66.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.114 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.85 83.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.573 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -72.28 -19.88 61.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.4 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.403 ' HA2' HD12 ' A' ' 160' ' ' LEU . . . -87.1 -23.47 40.94 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.076 177.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -88.76 -43.66 11.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.468 0.175 . . . . 0.0 110.643 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -88.48 127.39 35.52 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . 0.662 ' HG2' HD23 ' A' ' 160' ' ' LEU . 21.8 mtt-85 -105.26 135.96 45.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.045 0.45 . . . . 0.0 111.142 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 11.0 p -76.08 -21.63 56.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.632 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -140.86 114.76 9.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.894 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 18.2 m -77.69 -24.78 49.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.54 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.56 -36.92 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.218 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.77 87.25 6.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.961 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.61 31.21 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.402 -177.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -80.86 -18.62 46.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.256 0.55 . . . . 0.0 109.753 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.662 HD23 ' HG2' ' A' ' 152' ' ' ARG . 33.2 tp -71.92 -21.06 61.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.438 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -144.86 100.06 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.75 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -84.52 107.63 16.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.114 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -78.47 117.52 19.75 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 174.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -76.35 70.34 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.421 -171.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -144.36 0.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.469 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -134.96 100.01 4.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.83 0.348 . . . . 0.0 111.633 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.258 173.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.834 0.35 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.52 105.03 9.43 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.6 116.26 4.62 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.383 -174.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -105.82 81.9 1.72 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -101.53 143.16 31.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -132.06 97.51 4.17 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -103.22 106.9 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.546 -173.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -98.5 122.24 41.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.501 HG23 ' HB3' ' A' ' 137' ' ' MET . 7.1 tp -120.94 126.49 75.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.207 0.527 . . . . 0.0 110.22 176.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.542 HG21 HG23 ' A' ' 105' ' ' VAL . 17.7 m -89.47 116.78 27.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.82 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.438 HG22 ' HG3' ' A' ' 141' ' ' ARG . 50.2 mt -111.83 125.85 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.67 -13.94 60.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.994 0.426 . . . . 0.0 111.284 -172.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.28 141.38 90.99 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.219 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' O ' HG21 ' A' ' 18' ' ' VAL . 19.0 Cg_endo -59.13 142.74 99.64 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.918 2.412 . . . . 0.0 112.029 177.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.603 ' HE2' ' HD3' ' A' ' 76' ' ' ARG . 81.1 mtp -54.65 -29.79 53.45 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.895 -174.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -50.61 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.715 0.634 . . . . 0.0 111.298 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.637 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 24.2 tp -66.04 -27.46 68.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.376 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' HA ' HD11 ' A' ' 144' ' ' ILE . 83.8 t -59.99 -60.99 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -58.19 -39.97 80.31 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 109.833 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.637 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 18.0 m -58.07 -42.81 86.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.324 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.492 ' HE3' HD21 ' A' ' 31' ' ' LEU . 92.8 mtp -91.14 -33.47 15.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.1 p -69.72 -31.21 69.09 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.463 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 38.8 m-80 -86.56 -15.87 38.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.561 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -79.89 94.38 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.543 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 19.2 pt -75.23 -16.22 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.464 -172.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -81.81 -1.52 47.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.145 0.497 . . . . 0.0 110.382 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -109.6 -3.19 17.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.753 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 20.4 m0 -54.83 -49.83 89.5 Favored Pre-proline 0 CA--C 1.532 0.268 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.78 -23.46 41.76 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.985 1.79 . . . . 0.0 113.153 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.88 -37.29 30.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.348 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.492 HD21 ' HE3' ' A' ' 21' ' ' MET . 8.3 mp -92.33 -46.75 7.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.872 0.368 . . . . 0.0 110.557 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -101.83 102.79 13.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.735 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.7 m -90.91 90.52 7.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.715 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.744 ' HG2' ' HE3' ' A' ' 54' ' ' MET . 25.2 tt0 -169.27 -49.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.367 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.474 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 48.5 m-85 -72.57 149.69 43.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.077 177.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.33 -75.15 0.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.418 ' OG ' ' HB ' ' A' ' 53' ' ' THR . 4.6 p -114.89 122.32 45.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.315 0.579 . . . . 0.0 111.577 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.508 HG13 ' HB ' ' A' ' 25' ' ' ILE . 66.7 t -98.81 104.51 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.302 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -102.89 127.89 49.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.3 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.444 HG23 HD11 ' A' ' 25' ' ' ILE . 21.9 t -91.44 106.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -79.72 -23.1 42.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.262 0.553 . . . . 0.0 110.085 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.31 172.65 27.84 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -152.03 153.12 33.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.118 0.459 . . . . 0.0 110.594 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -123.72 74.46 1.27 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.594 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.4 t0 57.2 -80.66 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.495 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.74 -29.9 25.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 0.0 110.726 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG2' HG22 ' A' ' 70' ' ' VAL . 94.0 mttt -88.34 141.04 28.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.988 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.4 p -130.3 116.02 34.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.402 0.62 . . . . 0.0 109.846 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -97.0 97.88 9.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.16 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -115.59 151.22 35.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.105 0.478 . . . . 0.0 110.756 -178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.544 ' HD3' ' HB3' ' A' ' 64' ' ' SER . 32.0 ttm180 -106.87 120.09 41.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.6 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.5 mt -83.82 94.67 8.25 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.418 ' HB ' ' OG ' ' A' ' 37' ' ' SER . 26.5 m -87.33 102.44 14.52 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.552 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.744 ' HE3' ' HG2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -71.12 167.99 18.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.328 -176.139 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -72.62 147.97 89.84 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -43.99 129.73 7.83 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.16 2.573 . . . . 0.0 113.082 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.13 163.02 28.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.162 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.1 -31.68 61.41 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 123.132 0.27 . . . . 0.0 111.309 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.78 -34.53 78.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.411 0.624 . . . . 0.0 110.701 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.23 -13.29 12.49 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.741 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -80.58 164.97 22.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.444 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.57 125.65 68.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.222 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -89.82 111.73 22.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.205 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.544 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 18.0 m -129.4 110.61 12.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.395 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.516 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 48.0 p90 -125.95 140.77 52.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 111.518 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.6 t -85.76 133.16 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.042 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.2 m -126.16 128.48 47.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.14 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.01 120.0 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.374 -0.376 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' NH1' ' HA ' ' A' ' 23' ' ' ASN . 50.0 ttp180 -119.8 133.9 55.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.712 -177.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.427 HG22 ' HG2' ' A' ' 47' ' ' LYS . 41.7 t -119.25 126.24 75.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.25 114.25 26.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.132 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -115.6 110.26 44.87 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.23 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.8 -10.86 20.05 Favored 'Trans proline' 0 CA--C 1.527 0.145 0 C-N-CA 122.84 2.36 . . . . 0.0 113.452 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.2 t -76.56 -55.19 11.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.069 0.462 . . . . 0.0 110.058 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.0 p -82.07 -8.97 59.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.009 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.603 ' HD3' ' HE2' ' A' ' 15' ' ' MET . 97.5 mtt180 58.94 38.48 24.34 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.385 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.1 m -126.7 128.24 46.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.487 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 57.9 t -115.77 112.34 39.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.305 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -96.59 123.74 40.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.421 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.47 100.87 8.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.858 0.361 . . . . 0.0 110.283 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -95.58 124.83 39.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.245 0.545 . . . . 0.0 110.212 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -100.55 111.48 23.73 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.5 t -72.64 -51.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.035 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.516 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 36.6 mt-10 -92.09 120.97 33.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.276 177.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 2.9 m -141.17 2.99 1.74 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.022 0.439 . . . . 0.0 111.285 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.68 -116.29 4.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.874 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.68 -10.72 29.71 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.97 2.446 . . . . 0.0 112.666 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.517 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 62.7 m-85 -89.95 140.69 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.842 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -73.13 -44.31 60.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.185 0.517 . . . . 0.0 109.828 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -161.75 149.17 14.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.925 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 51.3 ttm -144.71 112.81 6.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.964 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -105.92 117.59 34.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.004 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.9 108.46 25.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.533 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 41.9 t -100.9 119.2 48.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.784 0.326 . . . . 0.0 111.263 -177.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.512 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 34.9 m0 -97.67 98.26 9.72 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -98.02 119.52 36.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.94 0.4 . . . . 0.0 110.174 177.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -95.12 116.98 29.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.88 114.04 27.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.033 0.444 . . . . 0.0 111.163 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.4 111.25 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.252 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.0 m -130.9 154.8 47.72 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.61 -16.21 58.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 110.527 -177.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -86.67 -6.79 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.281 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.84 -169.44 23.23 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.103 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.7 m -84.98 107.58 17.18 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.942 0.401 . . . . 0.0 110.025 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.542 HG23 HG21 ' A' ' 10' ' ' THR . 69.3 t -88.71 103.05 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 35.6 ttp -94.33 122.04 36.47 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.188 0.518 . . . . 0.0 110.011 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -103.78 109.77 21.61 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.826 -175.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -88.38 90.41 8.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.979 0.419 . . . . 0.0 110.555 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.533 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 7.9 m -83.98 102.52 12.51 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.518 175.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -104.92 108.99 20.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.043 0.449 . . . . 0.0 110.254 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -110.2 108.09 18.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.459 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -135.33 162.74 31.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.897 0.38 . . . . 0.0 111.008 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -143.58 137.6 28.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.769 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.476 ' HE3' ' HB2' ' A' ' 118' ' ' ALA . 21.4 ptm -147.77 157.51 43.57 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.313 0.383 . . . . 0.0 110.246 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.409 ' H ' ' CD ' ' A' ' 116' ' ' PRO . 53.7 mtpt -149.62 -49.9 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.409 ' CD ' ' H ' ' A' ' 115' ' ' LYS . 71.4 Cg_exo -51.73 107.71 0.2 Allowed 'Trans proline' 0 C--N 1.365 1.432 0 C-N-CA 122.381 2.054 . . . . 0.0 113.561 -176.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.47 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 65.9 m-20 57.67 30.94 19.65 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.733 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.476 ' HB2' ' HE3' ' A' ' 114' ' ' MET . . . -91.93 107.42 22.59 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.379 176.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.47 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 41.9 Cg_endo -92.52 17.05 1.29 Allowed 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 123.123 2.549 . . . . 0.0 111.81 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.491 HG23 ' SD ' ' A' ' 125' ' ' MET . 28.3 m -96.54 130.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.113 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -93.59 66.28 3.81 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.6 t70 61.68 -79.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.1 175.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.94 -13.41 62.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.947 -172.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -61.38 -45.53 93.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.277 0.56 . . . . 0.0 109.584 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.491 ' SD ' HG23 ' A' ' 120' ' ' VAL . 80.5 mtp -79.58 -35.71 39.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.366 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.5 m -57.14 -41.33 78.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.5 -43.43 63.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 109.884 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -59.3 -41.48 89.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.769 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 125' ' ' MET . 61.5 mt -60.74 -46.72 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.713 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -53.54 -45.53 69.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -66.72 -60.21 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.9 -48.64 80.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.935 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' ' 137' ' ' MET . 60.6 m -66.31 -38.61 88.1 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -59.82 -42.2 92.99 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.373 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.7 m -68.15 -41.9 80.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.966 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 140' ' ' ILE . 7.5 tp-100 -68.14 -43.45 78.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.804 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' ' 133' ' ' SER . 80.5 mmm -67.7 -33.82 75.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.339 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.99 93.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.31 -50.17 74.07 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.114 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.424 HD12 ' SD ' ' A' ' 137' ' ' MET . 68.3 mt -58.75 -47.44 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.44 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.473 ' HA ' HG21 ' A' ' 144' ' ' ILE . 49.1 ttt180 -57.05 -51.0 71.03 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.42 -29.66 64.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.986 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -82.26 -50.49 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.7 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.489 HD11 ' HA ' ' A' ' 18' ' ' VAL . 16.5 tt -71.69 -33.77 49.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 111.495 -175.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -73.03 -33.63 65.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . 0.49 ' O ' ' HG3' ' A' ' 150' ' ' GLU . 39.1 tt0 -62.13 -48.72 78.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.191 171.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.63 73.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.244 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.16 94.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.704 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.556 ' O ' ' HA ' ' A' ' 153' ' ' THR . . . -71.57 -20.78 78.67 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.167 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 146' ' ' GLN . 47.2 mt-10 -85.73 -32.52 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.038 0.447 . . . . 0.0 110.207 175.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.39 -55.66 12.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -118.41 89.97 3.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.242 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 149' ' ' GLY . 9.2 p -58.69 -40.42 83.56 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.23 0.538 . . . . 0.0 110.265 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -104.96 103.46 13.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 168.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 15.1 m -62.43 -21.03 65.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.138 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 19.0 t -102.53 145.53 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 174.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.88 -36.6 79.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.166 0.507 . . . . 0.0 109.895 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -135.69 -163.33 1.38 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.843 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.36 -22.15 52.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.144 0.497 . . . . 0.0 110.091 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 95.3 mt -136.89 159.08 42.93 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.501 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -80.59 -53.43 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.088 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -84.83 121.88 28.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.173 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -98.15 146.08 25.94 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -80.7 18.51 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.445 0.641 . . . . 0.0 110.897 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -98.47 -1.97 40.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 167.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -137.4 -165.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.425 -1.261 . . . . 0.0 108.197 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.337 175.484 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HE3' ' HA ' ' A' ' 116' ' ' PRO . 96.2 mmm . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.812 0.339 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -147.88 105.64 3.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.922 0.391 . . . . 0.0 110.126 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.15 107.12 3.29 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.974 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -92.15 92.15 8.1 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -113.88 136.04 53.31 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -168.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.84 102.64 9.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.826 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.595 ' ND2' ' HB2' ' A' ' 133' ' ' SER . 14.1 t-20 -96.2 120.61 36.81 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.471 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 17.5 mt-10 -118.34 149.77 40.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.606 -168.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.442 HG22 ' HE3' ' A' ' 137' ' ' MET . 19.2 tt -154.14 135.45 5.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.788 169.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 27.2 m -86.2 122.15 29.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.585 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 mt -108.01 123.33 63.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.179 0.514 . . . . 0.0 110.596 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.14 64.68 8.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.38 0.609 . . . . 0.0 110.301 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.9 149.51 36.15 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.986 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.12 146.86 95.26 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.587 2.191 . . . . 0.0 111.814 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.453 ' HE3' ' HD3' ' A' ' 76' ' ' ARG . 88.7 mtp -62.12 -26.11 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.299 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' CD ' HH21 ' A' ' 151' ' ' ARG . 31.9 tt0 -55.49 -68.75 0.17 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.242 0.339 . . . . 0.0 110.471 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.485 HD21 ' HD3' ' A' ' 151' ' ' ARG . 2.4 tm? -51.55 -43.8 62.49 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.154 0.581 . . . . 0.0 111.282 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.54 -54.82 27.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 120.832 0.348 . . . . 0.0 111.426 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -61.35 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.527 0.68 . . . . 0.0 109.667 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -59.01 -42.38 89.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.614 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.618 ' HG2' HG12 ' A' ' 144' ' ' ILE . 8.2 tpt -63.91 -37.73 88.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.907 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.7 p -84.96 -17.48 37.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.839 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.432 ' ND2' HH22 ' A' ' 69' ' ' ARG . 10.9 m-80 -73.11 -43.54 61.56 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.896 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.926 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 76.5 m-20 -77.53 82.86 3.95 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 173.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.507 HD13 HG22 ' A' ' 40' ' ' VAL . 19.2 pt -64.75 -11.88 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.14 -175.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -82.66 4.31 25.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.726 0.298 . . . . 0.0 111.044 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.926 ' HE2' ' HB2' ' A' ' 24' ' ' ASP . 50.1 mttm -85.22 -21.6 29.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.202 0.525 . . . . 0.0 109.64 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.513 ' HB2' HG22 ' A' ' 38' ' ' VAL . 49.7 m0 -56.97 -44.58 99.84 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.783 -176.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.95 -25.4 69.84 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.876 1.717 . . . . 0.0 112.568 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.71 -38.11 21.19 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.872 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.593 ' HG ' ' HG3' ' A' ' 143' ' ' ARG . 11.0 mp -79.9 -56.33 4.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.802 0.334 . . . . 0.0 110.785 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -76.23 168.87 19.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.732 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.1 m -115.54 -39.35 3.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.4 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.55 -31.39 68.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.595 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -76.69 122.4 24.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.84 -29.34 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.481 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -163.34 143.31 8.78 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.978 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 28' ' ' TRP . 99.3 t -109.88 92.0 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.13 113.87 25.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.082 -169.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.507 HG22 HD13 ' A' ' 25' ' ' ILE . 34.4 t -71.72 119.6 18.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.251 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.41 HD13 ' HB2' ' A' ' 51' ' ' ARG . 91.4 mt -90.1 -24.02 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.003 0.43 . . . . 0.0 110.524 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.96 169.48 31.51 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.014 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -140.96 150.25 42.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.917 0.389 . . . . 0.0 110.789 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -143.15 56.69 1.39 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.354 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t70 59.96 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.201 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -68.93 -29.63 67.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.085 0.469 . . . . 0.0 110.332 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -103.48 137.93 40.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.268 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 69' ' ' ARG . 5.8 p -133.75 109.43 13.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.554 0.692 . . . . 0.0 109.355 167.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 m -91.83 122.87 34.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.404 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -129.5 149.4 51.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.28 0.562 . . . . 0.0 111.12 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HB2' HD13 ' A' ' 41' ' ' LEU . 41.6 ttt180 -101.33 118.77 37.65 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.827 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 64' ' ' SER . 22.7 mt -86.7 100.86 12.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.227 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 m -99.15 114.51 27.3 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.735 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.4 mtp -97.07 -177.51 3.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.164 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -77.28 147.22 75.76 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 62' ' ' VAL . 17.5 Cg_endo -58.16 138.64 86.99 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.6 2.2 . . . . 0.0 111.766 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -76.21 -175.21 3.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.58 -29.84 70.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.662 0.267 . . . . 0.0 111.711 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -78.35 -25.33 46.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.994 0.426 . . . . 0.0 110.454 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.98 -6.26 13.39 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.779 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -72.67 124.41 25.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.832 0.349 . . . . 0.0 110.771 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 41.1 t -87.77 103.96 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 177.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -71.77 128.29 35.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.429 0.633 . . . . 0.0 111.621 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 24.0 m -146.06 142.74 28.87 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.999 178.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.2 p90 -147.59 162.87 38.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.925 0.393 . . . . 0.0 110.949 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -98.75 127.91 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.696 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -132.46 154.63 49.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.395 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -120.1 124.96 47.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.202 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.582 ' HB3' HG11 ' A' ' 48' ' ' VAL . 51.2 ttt-85 -102.22 120.14 39.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.005 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.0 t -110.82 130.04 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.06 112.14 24.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.738 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -107.73 99.4 29.45 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.746 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.3 -19.38 19.75 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.147 2.565 . . . . 0.0 112.699 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.22 -44.98 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.221 0.534 . . . . 0.0 110.094 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m -89.09 -5.49 57.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.419 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' HD3' ' HE3' ' A' ' 15' ' ' MET . 88.9 mtt180 58.9 46.4 13.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.773 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.418 ' CG2' HG13 ' A' ' 94' ' ' VAL . 90.7 m -131.38 131.26 43.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.626 -173.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 76.2 t -102.62 102.42 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 169.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 79' ' ' ARG . 27.3 ttp85 -92.13 112.26 24.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.545 -176.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.29 103.43 12.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.43 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -101.21 141.5 33.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.535 ' HD2' ' SD ' ' A' ' 91' ' ' MET . 12.2 ttt-85 -83.8 107.04 15.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.31 -44.51 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.266 0.555 . . . . 0.0 110.523 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -100.41 141.24 33.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 65.9 p -96.81 -168.88 1.78 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.969 0.414 . . . . 0.0 111.073 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -177.95 -113.22 0.35 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.71 -18.1 42.31 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.599 2.2 . . . . 0.0 110.829 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -105.31 147.22 28.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.807 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -88.26 -35.47 17.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.824 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 112' ' ' PHE . 89.3 t80 -148.59 126.56 11.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.67 -175.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.535 ' SD ' ' HD2' ' A' ' 82' ' ' ARG . 79.3 mtp -133.48 105.77 7.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -122.21 101.97 7.85 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.527 HG12 ' HG3' ' A' ' 110' ' ' GLN . 15.0 mt -94.95 104.87 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.236 0.541 . . . . 0.0 109.964 -177.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 95.1 t -93.95 103.67 14.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.887 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.63 ' HE3' ' HH ' ' A' ' 97' ' ' TYR . 12.7 m0 -86.97 97.56 10.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.906 178.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.451 ' HG3' HG11 ' A' ' 94' ' ' VAL . 43.9 mt-10 -95.7 136.59 35.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.824 0.345 . . . . 0.0 110.763 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.63 ' HH ' ' HE3' ' A' ' 95' ' ' TRP . 63.8 m-85 -114.53 115.58 27.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.482 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.17 139.33 40.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.397 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.83 99.56 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.598 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 m -113.32 156.77 22.79 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.757 0.313 . . . . 0.0 110.2 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.85 6.81 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.987 0.422 . . . . 0.0 111.632 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -114.0 -2.52 13.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.939 176.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.6 -169.28 20.82 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.853 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 m -84.47 106.56 16.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 94.1 t -83.76 116.57 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.882 0.372 . . . . 0.0 110.341 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.476 ' HE2' ' HE2' ' A' ' 137' ' ' MET . 51.5 ttp -97.05 122.19 39.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.704 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.471 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 17.8 mtm180 -115.1 117.69 31.26 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.084 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -86.81 88.49 7.69 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.559 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 76.6 m -81.52 88.06 6.2 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.332 176.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.538 ' HG2' ' HD1' ' A' ' 112' ' ' PHE . 53.1 tt0 -92.07 102.29 14.83 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.674 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -89.74 94.27 9.77 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.538 ' HD1' ' HG2' ' A' ' 110' ' ' GLN . 52.3 p90 -116.38 121.86 43.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.781 0.801 . . . . 0.0 111.443 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -97.97 125.25 42.82 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.858 174.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.441 ' HE2' HG23 ' A' ' 120' ' ' VAL . 86.7 mmm -83.93 148.63 26.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.515 -177.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.435 ' HB3' ' OD2' ' A' ' 117' ' ' ASP . 3.5 mmmp? -74.78 131.95 78.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.462 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 50.3 Cg_exo -56.75 -5.01 1.02 Allowed 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 123.601 2.868 . . . . 0.0 113.159 177.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.435 ' OD2' ' HB3' ' A' ' 115' ' ' LYS . 8.2 m-20 -70.7 -28.43 64.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.118 175.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.454 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -95.57 139.9 22.13 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.132 -176.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 3.2 Cg_endo -87.01 21.7 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.604 2.869 . . . . 0.0 113.033 -177.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.441 HG23 ' HE2' ' A' ' 114' ' ' MET . 23.0 m -92.3 121.91 43.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.256 0.551 . . . . 0.0 110.033 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -100.85 76.95 1.82 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.478 -169.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 60.35 -79.17 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 O-C-N 124.046 0.841 . . . . 0.0 112.017 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.426 ' HA ' ' HB ' ' A' ' 126' ' ' THR . . . -59.03 -23.97 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.374 -173.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -56.15 -58.47 7.78 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.374 0.607 . . . . 0.0 109.586 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.631 ' O ' HG12 ' A' ' 129' ' ' ILE . 96.4 mmm -69.52 -42.38 74.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.394 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.426 ' HB ' ' HA ' ' A' ' 123' ' ' ALA . 94.1 m -55.84 -42.97 76.56 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.08 -35.63 74.33 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.584 -0.446 . . . . 0.0 109.958 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -62.2 -37.24 84.54 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.288 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 125' ' ' MET . 46.3 mm -54.35 -53.82 26.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -52.12 -56.47 14.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.01 -62.1 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.937 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -63.2 -56.0 20.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.648 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.595 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 16.6 m -62.53 -49.57 74.79 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.648 -174.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -64.95 -33.44 76.03 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.386 -172.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.7 m -61.26 -47.82 84.29 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.359 0.6 . . . . 0.0 110.152 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.411 ' O ' HG13 ' A' ' 140' ' ' ILE . 98.0 mt-30 -69.06 -36.15 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.964 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.511 ' HG3' ' O ' ' A' ' 133' ' ' SER . 90.5 mtp -66.79 -33.22 75.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.401 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . . . -61.7 -41.76 98.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.9 tt -63.65 -40.48 96.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.064 175.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 136' ' ' GLN . 83.8 mt -66.63 -41.71 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.804 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -58.95 -41.57 87.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.984 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.96 -47.48 84.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.569 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.593 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 18.9 mmt180 -62.41 -40.71 97.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.695 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.618 HG12 ' HG2' ' A' ' 21' ' ' MET . 37.6 mt -67.13 -41.66 87.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.544 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.11 -33.45 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 110.202 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -58.86 -54.46 46.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.065 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.444 ' HB1' HD12 ' A' ' 17' ' ' LEU . . . -66.37 -33.09 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.387 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.57 -34.13 69.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.991 0.424 . . . . 0.0 110.793 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -66.22 -24.63 72.07 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -82.91 -66.23 0.92 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.527 173.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.485 ' HD3' HD21 ' A' ' 17' ' ' LEU . 20.6 ttt180 -81.45 99.74 8.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.266 0.555 . . . . 0.0 110.4 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -94.92 109.9 21.85 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.21 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 24.7 m -56.42 137.34 53.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.316 -176.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -61.56 150.1 37.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.148 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 24.0 p -72.93 88.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.28 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 48.8 t -83.34 108.93 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.084 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 91.4 mt -75.61 -65.61 0.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.703 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -109.97 159.9 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.054 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 162' ' ' HIS . 11.9 p-10 -69.37 -57.41 5.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 55.9 tp 46.56 -87.97 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.073 0.949 . . . . 0.0 112.943 175.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -69.95 -34.88 73.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.175 0.512 . . . . 0.0 110.239 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 159' ' ' ASP . 84.6 m-70 -89.78 99.73 12.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.142 -177.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -78.78 149.45 32.63 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -77.39 15.77 0.72 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.019 0.438 . . . . 0.0 112.05 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -137.47 -98.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 171.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -153.88 5.18 0.3 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 168.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 . . . . . 0 C--O 1.244 0.783 0 CA-C-N 114.529 -1.214 . . . . 0.0 108.32 -178.551 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -112.29 115.09 28.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.123 177.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.27 176.53 19.3 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.89 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.632 ' HB3' ' HA ' ' A' ' 111' ' ' ASP . 2.0 p-80 -151.28 133.8 15.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.045 0.45 . . . . 0.0 111.063 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.439 ' OG1' ' HA ' ' A' ' 126' ' ' THR . 7.2 m -106.03 119.59 39.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.376 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.19 98.52 10.52 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -101.7 96.75 7.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.574 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 0.7 OUTLIER -104.45 151.21 23.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.852 0.358 . . . . 0.0 111.226 -176.12 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.517 HG21 ' HB3' ' A' ' 137' ' ' MET . 13.5 tt -151.65 137.19 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.711 173.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.2 m -85.18 116.82 23.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.908 0.385 . . . . 0.0 110.768 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.6 mt -105.26 130.51 56.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.4 59.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.006 0.431 . . . . 0.0 111.659 -173.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.48 141.64 85.67 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.514 ' HB2' HD12 ' A' ' 17' ' ' LEU . 46.6 Cg_exo -57.23 149.27 65.18 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.945 2.43 . . . . 0.0 112.399 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mtp -59.49 -41.81 90.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.535 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 1.6 pm0 -69.44 -30.95 68.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.033 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.514 HD12 ' HB2' ' A' ' 14' ' ' PRO . 11.2 mp -73.65 -38.86 64.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.46 . . . . 0.0 109.798 176.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' HA ' HD12 ' A' ' 144' ' ' ILE . 70.7 t -63.69 -40.69 89.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.895 173.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.412 ' HD1' HD22 ' A' ' 23' ' ' ASN . 17.8 t-105 -64.44 -50.94 65.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.929 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 17' ' ' LEU . 15.3 t -64.64 -31.25 72.39 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.708 0.29 . . . . 0.0 111.053 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.2 mmm -72.11 -37.22 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.663 0.268 . . . . 0.0 111.218 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -82.36 -15.77 51.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.588 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.412 HD22 ' HD1' ' A' ' 19' ' ' TRP . 97.8 m-20 -74.45 -34.39 63.17 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 110.55 176.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -87.56 84.23 7.15 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.53 HD12 HG23 ' A' ' 40' ' ' VAL . 32.5 pt -71.33 -8.98 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.587 -171.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -73.29 -6.65 47.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.764 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -97.94 -10.72 24.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.472 ' HB2' HG22 ' A' ' 38' ' ' VAL . 37.2 m0 -55.39 -46.82 99.64 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 47.5 Cg_exo -57.83 -19.78 40.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.281 1.988 . . . . 0.0 113.099 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.83 -18.83 57.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.303 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' HG ' ' CB ' ' A' ' 143' ' ' ARG . 10.1 mp -104.58 -53.8 2.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.085 0.469 . . . . 0.0 110.357 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 34' ' ' GLU . 6.0 t80 -93.47 99.4 11.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.6 m -68.51 -2.66 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -171.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 7.7 mm-40 -84.14 -19.82 33.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.987 0.422 . . . . 0.0 110.85 178.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -87.49 132.92 33.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.221 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.14 -49.48 6.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.9 p -148.43 115.84 6.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.877 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.496 HG13 ' HB ' ' A' ' 25' ' ' ILE . 91.3 t -90.22 104.53 15.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 173.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -108.55 129.45 55.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.203 -168.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.53 HG23 HD12 ' A' ' 25' ' ' ILE . 38.1 t -76.97 118.52 23.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.857 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.6 tp -84.49 -39.08 19.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.0 156.27 15.44 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.638 ' HB3' HG23 ' A' ' 48' ' ' VAL . 20.3 ptt180 -151.0 141.17 22.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.773 0.787 . . . . 0.0 112.12 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -117.46 58.07 0.8 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.941 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 61.82 -83.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.925 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.98 -31.14 58.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.323 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -108.97 108.67 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.713 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.638 HG23 ' HB3' ' A' ' 43' ' ' ARG . 4.2 p -125.92 122.3 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 111.699 -175.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 m -95.37 116.64 29.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.517 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -121.88 143.33 49.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.607 0.718 . . . . 0.0 111.803 -174.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -97.49 113.42 25.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.745 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.486 ' O ' ' HA ' ' A' ' 64' ' ' SER . 55.2 mt -90.98 99.0 12.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.513 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.0 m -91.78 109.0 20.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.513 174.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.8 mmm -81.65 172.92 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.427 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -67.24 133.64 93.37 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 175.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.48 119.23 4.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.998 2.466 . . . . 0.0 111.885 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -75.45 168.09 20.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.142 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.8 -20.1 65.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.963 0.411 . . . . 0.0 111.027 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.29 -23.97 64.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.524 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.84 -26.31 24.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.946 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -70.73 125.38 26.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.993 0.425 . . . . 0.0 110.22 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.77 113.16 19.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.635 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -78.58 109.35 12.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.115 0.484 . . . . 0.0 110.51 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 22.8 t -135.53 123.18 22.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.545 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -131.28 155.25 47.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.114 0.483 . . . . 0.0 111.177 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -94.33 127.48 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.775 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -133.19 162.16 32.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -131.05 132.51 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.165 0.507 . . . . 0.0 110.999 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -108.85 112.7 25.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.364 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.47 116.46 38.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.34 130.16 56.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.818 0.342 . . . . 0.0 111.702 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -103.12 101.56 22.64 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.49 -34.22 76.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.746 2.298 . . . . 0.0 112.315 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.1 t -75.39 -51.65 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.85 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 m -73.23 -19.88 60.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.053 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 61.74 48.7 5.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.634 0.73 . . . . 0.0 109.928 -177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -137.75 139.33 40.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.886 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.559 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 45.8 t -123.42 136.12 61.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.906 0.384 . . . . 0.0 110.969 -178.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -117.14 107.17 14.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.52 94.35 5.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.18 0.514 . . . . 0.0 110.153 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -100.19 137.21 38.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.445 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -84.85 112.54 20.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.825 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.7 t -56.81 -42.18 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.937 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -107.19 115.29 29.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.487 174.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 91' ' ' MET . 10.3 p -83.85 -41.1 17.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.928 -175.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.409 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 84.76 -118.39 4.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.074 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.409 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 6.7 Cg_exo -74.25 -7.82 20.17 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.166 2.578 . . . . 0.0 112.396 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -93.44 162.99 13.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -95.84 -36.56 11.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -146.34 139.1 25.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.964 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.483 ' HB2' HG23 ' A' ' 85' ' ' THR . 70.7 mmm -140.23 104.1 4.74 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.694 0.283 . . . . 0.0 111.061 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -133.12 109.74 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.239 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 110' ' ' GLN . 16.4 mt -101.44 104.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.927 0.394 . . . . 0.0 110.18 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.1 t -89.72 115.05 28.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.673 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.559 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 25.4 m0 -95.63 94.13 7.55 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 46.1 mt-10 -88.77 116.11 26.8 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.956 0.407 . . . . 0.0 110.095 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -93.55 118.9 31.94 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' A' ' 105' ' ' VAL . . . -105.61 117.61 34.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.127 0.489 . . . . 0.0 111.03 -173.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.66 97.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.46 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.0 m -115.81 153.78 30.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.863 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.94 -21.6 64.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.81 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -91.79 -6.02 52.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.01 -169.13 24.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.32 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -89.4 107.97 19.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.658 0.266 . . . . 0.0 110.565 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.518 ' HB ' ' HB1' ' A' ' 98' ' ' ALA . 86.0 t -82.84 107.61 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 53.4 ttp -90.51 117.0 28.86 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.927 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.574 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 37.0 mtp85 -107.49 110.96 23.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.031 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.445 ' CD2' ' HE1' ' A' ' 137' ' ' MET . 10.7 m0 -97.78 92.14 5.71 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.0 m -95.7 100.51 12.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.138 0.494 . . . . 0.0 110.187 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.56 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 51.7 tt0 -89.98 106.1 18.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.331 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.632 ' HA ' ' HB3' ' A' ' 4' ' ' HIS . 20.2 t70 -93.12 114.31 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.628 ' HE2' ' HA ' ' A' ' 122' ' ' ASP . 37.8 p90 -133.5 135.42 44.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.267 0.556 . . . . 0.0 111.065 -174.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -105.43 125.52 51.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.91 176.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.429 ' HE2' HG22 ' A' ' 120' ' ' VAL . 62.0 mtp -127.65 171.79 11.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.109 178.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.651 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 51.4 tttm 176.77 -45.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.734 -176.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 1.7 Cg_endo -43.88 171.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.365 1.438 0 C-N-CA 123.327 2.685 . . . . 0.0 114.049 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -70.93 17.6 0.07 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.367 -1.288 . . . . 0.0 113.181 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -65.37 128.16 93.55 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 26.9 Cg_exo -63.02 -16.5 54.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.055 2.504 . . . . 0.0 113.279 -175.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.604 HG12 ' HD1' ' A' ' 124' ' ' TRP . 16.1 m -91.69 126.28 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.222 0.534 . . . . 0.0 110.472 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.35 168.24 12.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.628 ' HA ' ' HE2' ' A' ' 112' ' ' PHE . 4.9 p-10 -59.02 -34.86 72.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.932 0.396 . . . . 0.0 110.088 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.41 80.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.604 ' HD1' HG12 ' A' ' 120' ' ' VAL . 19.8 t-105 -69.78 -39.57 76.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.749 0.309 . . . . 0.0 110.502 -176.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.517 ' O ' HG13 ' A' ' 129' ' ' ILE . 35.2 mtp -69.05 -27.33 65.55 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.82 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.439 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 84.5 m -60.72 -44.66 96.34 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.33 -39.52 94.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.73 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -61.58 -44.79 96.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.721 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 125' ' ' MET . 79.7 mt -62.94 -40.46 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.632 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -52.75 -62.01 1.92 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -58.56 -67.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.316 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -66.07 -52.57 47.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.007 -170.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.682 ' O ' ' HG2' ' A' ' 137' ' ' MET . 24.2 m -62.93 -40.62 98.18 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.605 -174.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -68.12 -32.87 73.47 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.548 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 62.1 m -65.75 -40.59 92.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 140' ' ' ILE . 83.4 mm-40 -63.87 -37.6 87.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.499 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.682 ' HG2' ' O ' ' A' ' 133' ' ' SER . 18.7 mmt -61.26 -39.21 89.51 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.754 178.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.95 81.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.061 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.1 tp -71.64 -46.64 58.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.785 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 144' ' ' ILE . 75.2 mt -61.63 -49.56 83.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.64 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -57.54 -45.11 85.46 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -53.12 -38.25 62.49 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.589 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.495 ' CB ' ' HG ' ' A' ' 31' ' ' LEU . 6.7 mmp_? -86.32 -51.03 6.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.802 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 140' ' ' ILE . 15.8 tt -69.43 -37.09 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -171.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -73.23 -29.46 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.159 0.504 . . . . 0.0 109.898 -177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -70.44 -50.84 34.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.996 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.71 97.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.578 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -82.68 -6.95 59.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.927 0.394 . . . . 0.0 111.267 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -91.43 -46.89 3.65 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 173.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.38 -51.89 21.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.533 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 66.58 118.82 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . 0.472 ' HA ' HD22 ' A' ' 157' ' ' LEU . 52.2 mtt180 -82.4 -2.02 51.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 174.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.2 m -78.69 -8.9 59.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.252 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -102.05 162.29 13.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.845 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 23.4 p -72.3 -56.46 5.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 46.4 t -97.19 107.23 19.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 152' ' ' ARG . 33.6 mt -50.08 -75.06 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.911 0.757 . . . . 0.0 111.05 -173.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -100.04 133.3 44.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.691 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.32 -13.05 61.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.031 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.92 108.27 3.93 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.47 129.39 40.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.287 0.565 . . . . 0.0 111.946 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -93.43 135.05 35.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -79.61 -10.29 59.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.933 0.397 . . . . 0.0 111.543 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.93 145.62 30.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.07 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -115.72 130.57 56.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.618 -171.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -95.33 -163.74 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 77.9 t60 . . . . . 0 C--O 1.246 0.912 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 169.856 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 113' ' ' ALA . 74.1 mtm . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.17 122.69 41.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.975 0.416 . . . . 0.0 111.035 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.54 152.37 16.92 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -121.91 111.29 16.9 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -105.58 111.55 24.29 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -94.67 87.73 5.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.4 . . . . 0.0 110.899 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -82.93 93.38 7.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.066 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 40.7 mt-10 -104.87 131.7 52.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.426 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.479 HD11 ' HD2' ' A' ' 141' ' ' ARG . 17.2 tt -140.22 132.89 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 0.0 110.523 176.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 m -85.78 107.63 17.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.563 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.0 mt -90.0 133.95 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.53 17.75 1.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.839 0.352 . . . . 0.0 111.895 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.52 149.86 39.37 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HB2' HD13 ' A' ' 17' ' ' LEU . 39.4 Cg_exo -57.27 140.53 93.19 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.846 2.364 . . . . 0.0 112.372 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 73.9 mtp -53.96 -39.0 65.56 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.519 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -59.97 -42.85 95.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.361 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.611 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.4 mp -75.91 -36.03 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 -178.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.73 -47.74 88.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.281 173.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.467 ' O ' ' HB3' ' A' ' 23' ' ' ASN . 11.2 t-105 -63.94 -54.13 39.44 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.611 HG22 ' HA ' ' A' ' 17' ' ' LEU . 11.0 t -59.23 -33.76 71.39 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -174.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.8 mmm -76.52 -43.24 40.17 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.461 0.172 . . . . 0.0 111.44 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.2 p -77.97 -18.12 56.37 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.338 0.59 . . . . 0.0 110.678 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.494 ' HA ' HH22 ' A' ' 69' ' ' ARG . 0.0 OUTLIER -72.8 -33.8 66.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.525 174.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -81.76 93.61 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.257 0.551 . . . . 0.0 109.724 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.622 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 15.8 pt -70.43 -15.39 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.789 -174.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -77.43 -0.95 27.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.984 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -119.21 5.45 11.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.377 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.622 ' CZ2' HG21 ' A' ' 25' ' ' ILE . 43.4 m0 -61.62 -46.81 93.75 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.994 176.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 31.3 Cg_exo -61.12 -14.24 32.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.302 2.001 . . . . 0.0 112.512 177.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.91 -32.25 53.75 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.752 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mp -98.32 -46.28 5.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.402 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -98.21 106.93 19.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.573 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m -79.25 8.91 5.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -86.73 -6.9 58.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.675 0.274 . . . . 0.0 111.205 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -124.19 147.38 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.964 0.411 . . . . 0.0 110.741 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HB1' ' CD2' ' A' ' 55' ' ' HIS . . . -92.09 -42.44 9.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.582 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.7 t -152.06 153.93 34.94 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.546 -177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.441 HG13 ' HB ' ' A' ' 25' ' ' ILE . 69.3 t -115.91 116.62 52.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.741 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 33.5 tt0 -93.67 108.38 20.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.425 -173.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.408 HG21 HD11 ' A' ' 25' ' ' ILE . 22.1 t -78.49 100.25 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.919 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.414 HD11 HG21 ' A' ' 49' ' ' THR . 92.7 mt -70.63 -42.15 71.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.131 0.491 . . . . 0.0 110.076 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.69 168.37 19.28 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.191 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 79.0 mtt180 -94.65 122.13 36.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.895 0.379 . . . . 0.0 110.087 177.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -93.62 84.6 4.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.6 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 68.03 -79.08 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.603 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -121.57 -6.17 9.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.672 0.749 . . . . 0.0 109.654 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.687 ' HG2' HG22 ' A' ' 70' ' ' VAL . 27.2 mttp -99.62 173.02 6.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.544 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 5.2 p -138.15 122.95 22.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.084 0.469 . . . . 0.0 110.05 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.489 HG23 ' HG2' ' A' ' 68' ' ' GLU . 16.6 m -93.65 116.06 28.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.296 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 67' ' ' SER . 13.3 p90 -119.07 133.59 55.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.741 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 45.7 ttt180 -110.43 99.33 8.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.937 -176.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.505 ' HB2' ' HB3' ' A' ' 65' ' ' TRP . 5.4 mp -73.86 119.04 17.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.933 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 m -100.38 116.86 33.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.626 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 63.0 mtt -86.47 -179.91 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.655 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.424 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 47.3 m80 -80.66 137.47 51.12 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HB3' HG21 ' A' ' 62' ' ' VAL . 9.7 Cg_endo -53.15 109.44 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.042 2.495 . . . . 0.0 111.746 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.06 157.91 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.559 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.45 -19.34 63.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.804 0.335 . . . . 0.0 110.944 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.68 -9.98 59.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.461 0.648 . . . . 0.0 110.37 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.55 29.39 24.42 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.652 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -120.43 118.89 31.47 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.743 0.306 . . . . 0.0 110.377 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.53 HG21 ' HB3' ' A' ' 56' ' ' PRO . 43.9 t -84.87 105.59 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -75.96 128.05 34.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.304 0.573 . . . . 0.0 111.163 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 p -126.86 131.95 51.06 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.494 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.505 ' HB3' ' HB2' ' A' ' 52' ' ' LEU . 9.4 t90 -111.41 119.43 38.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 51' ' ' ARG . 48.8 t -104.22 110.53 30.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.136 0.493 . . . . 0.0 110.062 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.47 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 23.1 t -127.06 148.87 50.12 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.489 ' HG2' HG23 ' A' ' 49' ' ' THR . 40.5 mt-10 -121.93 126.79 49.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 79' ' ' ARG . 30.5 ptt180 -124.33 142.84 50.95 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.335 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.687 HG22 ' HG2' ' A' ' 47' ' ' LYS . 32.9 t -105.5 114.29 44.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.513 175.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' HA ' HG21 ' A' ' 78' ' ' VAL . . . -99.82 101.7 12.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.742 0.306 . . . . 0.0 110.56 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 24.5 t70 -99.57 112.16 62.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.267 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 7.7 Cg_exo -73.28 -19.34 22.49 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 123.114 2.543 . . . . 0.0 112.664 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.0 t -70.48 -53.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.076 0.465 . . . . 0.0 110.804 -176.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.7 p -92.35 -7.6 47.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.58 ' HB3' ' HB2' ' A' ' 97' ' ' TYR . 47.5 mtm-85 56.03 49.97 14.67 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.918 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.0 m -130.99 123.07 27.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.114 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.536 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 48.7 t -108.78 123.71 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.239 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.607 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 79.7 mtt-85 -105.09 106.47 16.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.47 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.14 105.45 15.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -90.85 130.3 36.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.318 0.58 . . . . 0.0 110.409 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.486 ' HD3' ' SD ' ' A' ' 91' ' ' MET . 34.4 ttt180 -95.7 123.73 39.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.2 t -80.27 -57.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.646 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -58.83 121.87 12.18 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.739 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.592 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 18.9 p -83.51 -85.66 0.12 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.644 -177.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.46 -121.39 6.08 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.64 -20.78 19.92 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.444 2.096 . . . . 0.0 111.493 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.592 ' O ' ' HB ' ' A' ' 85' ' ' THR . 88.5 m-85 -98.12 155.66 17.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.155 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.546 HE21 ' HB2' ' A' ' 115' ' ' LYS . 5.5 tt0 -100.32 -27.56 13.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.405 0.621 . . . . 0.0 109.86 175.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.718 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 54.6 t80 -151.78 135.65 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.142 -173.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.486 ' SD ' ' HD3' ' A' ' 82' ' ' ARG . 67.6 mtp -148.28 109.29 4.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 111.438 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -118.37 116.54 26.95 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.3 mt -102.43 113.36 38.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.036 0.446 . . . . 0.0 110.406 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.478 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 54.8 t -100.27 111.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.737 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.536 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 48.7 m0 -96.87 106.77 19.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.168 177.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.554 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 77.1 mt-10 -102.85 129.88 49.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.904 0.383 . . . . 0.0 110.31 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.58 ' HB2' ' HB3' ' A' ' 76' ' ' ARG . 15.4 m-85 -102.44 111.62 23.99 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.481 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . . . -105.74 135.13 47.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.173 0.511 . . . . 0.0 111.297 -173.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.59 126.64 31.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.967 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 m -147.27 156.74 43.2 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.07 -23.5 55.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.05 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -79.75 -25.94 40.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.187 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.01 -169.28 33.61 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.736 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.1 m -85.69 113.19 21.7 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.669 0.271 . . . . 0.0 110.479 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.481 ' HB ' ' HB2' ' A' ' 98' ' ' ALA . 58.9 t -89.74 105.36 16.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 37.6 ttp -98.13 123.79 42.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.0 110.126 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.554 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 36.6 ttm-85 -102.72 117.45 34.68 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.354 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -102.76 90.69 3.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.478 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 22.0 m -88.62 106.26 18.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.19 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.52 104.16 16.31 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.334 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -85.9 96.2 9.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 39.7 p90 -117.93 138.76 51.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.897 0.379 . . . . 0.0 110.64 -176.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.718 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -124.38 136.09 53.81 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.95 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.8 mtp -97.38 -167.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HB2' HE21 ' A' ' 89' ' ' GLN . 59.5 tttp -170.04 -55.82 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.401 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 30.8 Cg_endo -64.21 -13.12 36.09 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 122.025 1.817 . . . . 0.0 113.875 -175.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 69.94 78.75 0.19 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.609 0.719 . . . . 0.0 110.699 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.89 159.35 60.49 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.836 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.85 -33.59 61.86 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.669 2.246 . . . . 0.0 111.679 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.3 m -82.44 116.77 27.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.793 173.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -75.24 167.94 20.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.538 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.54 -40.9 69.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.542 0.687 . . . . 0.0 109.277 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.52 81.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.32 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -70.47 -36.99 74.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 28.7 mtp -66.92 -35.51 80.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.052 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 84.8 m -57.05 -47.92 79.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.608 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.24 -44.15 84.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.994 0.426 . . . . 0.0 110.683 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -57.53 -46.87 83.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.632 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.96 -48.04 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.598 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.52 -47.39 82.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.203 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -63.55 -51.77 63.97 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.981 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.72 -44.38 93.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.771 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 137' ' ' MET . 23.0 t -66.02 -42.42 89.68 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.645 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -55.47 -38.48 69.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.435 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.3 m -66.82 -50.27 63.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.861 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.05 -40.91 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.741 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 133' ' ' SER . 96.4 mmm -64.88 -31.09 72.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.627 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.7 93.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 109.993 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.73 -47.57 83.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.29 175.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.68 -46.3 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.546 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.484 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 49.7 ttt-85 -53.97 -51.53 63.58 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.444 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 33.7 t70 -58.14 -50.03 74.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.248 -177.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -70.66 -27.96 64.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.579 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 14.3 mm -65.54 -42.97 94.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 141' ' ' ARG . 45.9 mt-10 -62.06 -40.9 97.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 176.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 96.2 mt-30 -64.6 -50.98 65.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.34 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.68 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.311 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.519 ' HA ' HD22 ' A' ' 17' ' ' LEU . . . -71.62 -28.06 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.728 0.299 . . . . 0.0 110.775 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -75.33 -42.19 28.76 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.629 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -68.72 -39.43 80.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 65.72 -80.23 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.464 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -175.22 28.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 3.5 m -85.59 103.78 14.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.584 -177.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -78.67 76.34 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.281 0.562 . . . . 0.0 110.488 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 56.9 m -156.75 -28.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.266 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.65 139.43 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.287 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 96.8 mt -135.82 158.07 45.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.641 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.8 -43.75 71.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.758 0.313 . . . . 0.0 110.506 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -100.33 125.83 46.61 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 92.7 mt -112.99 136.85 52.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.243 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 163' ' ' HIS . 31.9 tt0 -83.24 119.3 24.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -60.93 -44.61 96.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.21 -173.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . 0.416 ' O ' ' HG2' ' A' ' 161' ' ' GLU . 10.2 m170 -98.93 107.07 19.41 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 172.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -56.9 -33.77 67.25 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.245 0.545 . . . . 0.0 110.351 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -101.48 106.34 17.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 164.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -44.56 -47.86 10.26 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.878 0.736 . . . . 0.0 112.089 -170.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 54.4 t60 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.656 -0.688 . . . . 0.0 109.858 175.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.491 ' H1 ' ' CG ' ' A' ' 122' ' ' ASP . 85.5 mtp . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.846 0.355 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.14 137.59 15.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.195 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.41 ' HA3' ' CZ ' ' A' ' 112' ' ' PHE . . . -109.89 105.15 1.96 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.833 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -94.52 91.72 6.75 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.552 HG23 HG21 ' A' ' 126' ' ' THR . 6.2 m -106.1 112.61 25.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -173.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -96.6 103.72 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.795 0.331 . . . . 0.0 110.345 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -97.09 98.64 10.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -100.9 143.05 31.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.995 0.426 . . . . 0.0 111.219 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 137' ' ' MET . 12.5 tt -159.96 132.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.373 175.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.0 m -86.5 101.97 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.289 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.471 HD13 HD12 ' A' ' 144' ' ' ILE . 66.8 mt -79.32 132.55 31.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.76 52.9 1.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.981 0.42 . . . . 0.0 112.009 -173.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.49 148.25 36.43 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.875 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.32 144.33 99.5 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.832 2.355 . . . . 0.0 112.082 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.483 ' HG2' HG22 ' A' ' 104' ' ' THR . 83.2 mtp -54.84 -39.16 68.29 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.615 -175.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -57.79 -45.21 86.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.324 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' A' ' 148' ' ' ALA . 9.6 mp -78.1 -34.47 50.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.548 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.39 -43.93 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.346 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -65.26 -49.86 67.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.699 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.454 HG23 ' HA ' ' A' ' 17' ' ' LEU . 12.4 t -64.43 -22.3 66.92 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.027 0.442 . . . . 0.0 111.149 -177.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.6 mmm -84.39 -43.3 14.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.947 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.628 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 32.8 p -90.17 -21.95 21.95 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -172.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.569 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 63.6 t30 -79.25 -30.16 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.339 . . . . 0.0 110.525 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -74.32 106.32 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.525 ' HB ' HG13 ' A' ' 38' ' ' VAL . 24.9 pt -66.26 -18.61 24.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.919 -173.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -85.86 -1.17 57.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.832 0.349 . . . . 0.0 111.179 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -95.26 -13.81 24.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.398 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.492 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 48.3 m0 -57.38 -48.1 97.89 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 31.4 Cg_exo -60.04 -22.8 70.9 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.106 1.87 . . . . 0.0 112.74 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.53 -20.89 67.92 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.015 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.718 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 10.1 mp -103.34 -58.64 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.142 0.496 . . . . 0.0 110.198 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -91.31 104.49 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.682 -178.685 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -80.09 18.29 0.87 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.155 -173.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -95.65 -20.74 18.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.165 0.507 . . . . 0.0 110.577 176.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.464 ' CD1' HD23 ' A' ' 52' ' ' LEU . 10.0 m-30 -88.07 135.3 33.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -178.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.84 -59.72 2.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.238 0.542 . . . . 0.0 109.725 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 p -147.3 122.88 10.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.513 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.525 HG13 ' HB ' ' A' ' 25' ' ' ILE . 78.2 t -87.39 107.12 16.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 174.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.461 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 34.3 tt0 -96.8 119.34 35.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.513 -170.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 25' ' ' ILE . 21.5 t -70.2 104.82 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.868 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 tp -78.3 -34.1 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.012 0.434 . . . . 0.0 110.055 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.23 156.32 8.81 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.158 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' HG2' HG23 ' A' ' 48' ' ' VAL . 49.6 mtt180 -109.7 156.05 20.75 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.91 158.6 44.01 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.83 -28.68 61.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.831 0.348 . . . . 0.0 111.321 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -106.61 -18.71 13.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.863 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.828 ' HG2' HG22 ' A' ' 70' ' ' VAL . 60.7 mttp -144.28 168.17 20.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.396 0.617 . . . . 0.0 112.225 -169.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 43' ' ' ARG . 5.6 p -134.91 116.78 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 169.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 m -97.9 120.64 38.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.055 -173.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 67' ' ' SER . 53.6 p90 -115.5 140.72 48.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.372 0.606 . . . . 0.0 110.7 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 36.8 ttt180 -103.39 98.03 7.99 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 174.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 35' ' ' TYR . 5.1 tt -81.78 108.07 15.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.755 -173.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 94.5 m -86.42 102.59 14.19 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.384 175.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.487 ' HB3' ' HB2' ' A' ' 63' ' ' TRP . 10.2 tpt -75.17 137.71 41.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 175.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -58.26 140.32 83.54 Favored Pre-proline 0 C--N 1.331 -0.206 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.989 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.6 ' HB3' HG21 ' A' ' 62' ' ' VAL . 19.5 Cg_endo -58.25 139.44 90.53 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 123.237 2.624 . . . . 0.0 112.955 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.558 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 24.6 t70 -69.59 162.81 26.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.558 174.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.46 -19.88 62.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.771 0.319 . . . . 0.0 111.211 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.52 -30.76 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.19 0.519 . . . . 0.0 110.342 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.65 35.06 3.14 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.397 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 47.2 mmtm -114.24 117.12 30.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.722 -0.281 . . . . 0.0 110.652 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 56' ' ' PRO . 38.5 t -90.95 130.42 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.558 ' CH2' ' HB2' ' A' ' 57' ' ' ASP . 4.8 m0 -112.07 87.07 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.784 -174.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 35.0 m -97.21 110.49 23.03 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.893 175.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -116.44 142.21 47.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.199 0.523 . . . . 0.0 111.26 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.5 t -88.75 129.37 39.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.805 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 15.2 m -135.03 146.27 48.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.001 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -106.53 119.78 40.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.056 0.455 . . . . 0.0 110.772 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.569 ' NH2' ' HA ' ' A' ' 23' ' ' ASN . 25.7 ttt85 -107.4 117.85 35.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.887 -176.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.828 HG22 ' HG2' ' A' ' 47' ' ' LYS . 27.0 t -101.31 97.66 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.3 112.88 26.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 29.8 t70 -122.31 118.08 29.03 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.874 0.369 . . . . 0.0 110.574 176.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 8.9 Cg_exo -72.26 -24.78 19.41 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.321 2.681 . . . . 0.0 112.881 -177.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.6 -52.26 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.942 0.401 . . . . 0.0 110.448 -177.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 p -76.69 -17.56 59.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.687 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.495 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 95.0 mtt180 65.94 38.63 4.88 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.64 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.4 m -141.17 131.86 25.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.844 -178.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.582 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 50.3 t -115.43 115.81 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.6 mtt85 -101.52 104.15 15.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . . . -108.2 104.7 14.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.847 0.356 . . . . 0.0 110.371 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -100.98 134.95 43.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.279 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 ttp85 -102.58 115.14 29.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.99 0.424 . . . . 0.0 110.044 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.6 t -79.16 -36.64 18.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.724 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -95.82 97.43 9.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.755 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 5.1 p -95.15 -34.76 12.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.689 -171.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.5 -111.42 3.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.015 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -69.1 -21.84 35.97 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.741 2.294 . . . . 0.0 112.237 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.552 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 26.6 m-85 -82.98 155.03 24.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -87.03 -41.44 13.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.784 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -159.31 154.48 25.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.398 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 45.9 ttm -156.8 124.35 5.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.97 0.414 . . . . 0.0 111.115 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -134.92 133.19 39.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.401 HG21 ' HG2' ' A' ' 110' ' ' GLN . 17.8 mt -116.83 118.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 110.814 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.532 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 60.4 t -103.87 111.36 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.628 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.8 m0 -90.41 104.65 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.4 tt0 -98.87 124.83 44.04 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.415 ' HB3' ' HE2' ' A' ' 15' ' ' MET . 26.8 m-85 -105.21 118.66 37.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.438 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.567 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . . . -106.06 150.93 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.495 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 29.5 tt0 -97.63 127.78 43.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.105 0.479 . . . . 0.0 112.132 -168.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.75 150.7 43.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.131 170.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.43 -21.8 55.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.083 0.468 . . . . 0.0 110.755 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -95.49 3.2 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.161 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.66 -169.16 33.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.699 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.483 HG22 ' HG2' ' A' ' 15' ' ' MET . 29.3 m -115.78 122.41 45.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.644 0.259 . . . . 0.0 110.333 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 98' ' ' ALA . 56.4 t -89.4 93.94 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 41.5 ttp -101.6 129.98 47.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.226 0.536 . . . . 0.0 110.801 -174.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' A' ' 96' ' ' GLU . 97.6 mtt180 -108.07 112.85 25.61 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.005 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -87.42 84.97 7.1 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.532 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 11.9 m -78.25 94.81 4.85 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.821 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.401 ' HG2' HG21 ' A' ' 93' ' ' ILE . 96.2 mt-30 -94.44 107.47 19.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.031 -177.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -104.79 103.74 13.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.555 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.41 ' CZ ' ' HA3' ' A' ' 3' ' ' GLY . 53.2 p90 -119.38 154.86 32.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.478 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -124.4 124.58 42.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.003 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.454 ' HE3' ' HA ' ' A' ' 88' ' ' PHE . 11.4 mtp -130.46 156.39 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.147 177.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 28.1 ttpp 177.44 -47.79 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.541 -173.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 43.0 Cg_endo -69.31 116.88 4.73 Favored 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 121.94 1.76 . . . . 0.0 113.137 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.9 t70 76.39 -27.0 0.18 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.706 0.802 . . . . 0.0 112.563 168.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.5 129.37 51.38 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.83 -173.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -89.94 25.3 0.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.221 2.614 . . . . 0.0 112.224 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.8 m -83.89 125.63 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.917 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -84.83 31.57 0.54 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.713 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.491 ' CG ' ' H1 ' ' A' ' 1' ' ' MET . 70.2 m-20 67.69 -69.35 0.14 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.559 0.744 . . . . 0.0 110.934 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.61 -25.24 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.372 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 -59.94 -44.29 94.46 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.225 0.536 . . . . 0.0 109.989 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.466 ' HE2' ' CE2' ' A' ' 88' ' ' PHE . 85.7 mtp -72.87 -40.44 65.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.224 178.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.552 HG21 HG23 ' A' ' 5' ' ' THR . 84.8 m -53.83 -42.74 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.446 0.467 . . . . 0.0 111.384 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.16 -44.45 72.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.678 0.275 . . . . 0.0 111.033 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.16 -40.68 96.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.274 177.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 125' ' ' MET . 64.5 mt -60.98 -46.65 96.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.863 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -51.41 -48.34 62.66 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.021 0.438 . . . . 0.0 111.002 177.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -69.13 -46.05 68.61 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.074 0.464 . . . . 0.0 110.921 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -67.5 -44.14 79.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.191 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 99.8 p -67.78 -44.33 77.67 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.573 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -54.56 -43.65 72.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.2 0.524 . . . . 0.0 110.099 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.5 m -69.54 -47.06 64.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.209 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.411 ' HG2' ' CZ ' ' A' ' 32' ' ' PHE . 8.8 tp-100 -70.83 -42.42 70.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.715 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.464 ' HB3' HG23 ' A' ' 9' ' ' ILE . 95.2 mmm -66.58 -28.56 68.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.23 99.72 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 171.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 59.7 tp -63.81 -47.89 79.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.386 176.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.516 HG23 HD22 ' A' ' 31' ' ' LEU . 73.7 mt -60.34 -41.58 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 177.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -57.26 -48.2 79.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.537 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.4 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.566 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.718 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 15.2 tpt180 -65.9 -44.98 83.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.238 -177.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.471 HD12 HD13 ' A' ' 11' ' ' ILE . 51.0 mt -65.81 -41.53 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.445 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.85 -38.08 81.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.046 0.45 . . . . 0.0 110.076 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -62.78 -46.6 87.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.28 176.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.09 82.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.526 ' HA ' HD21 ' A' ' 17' ' ' LEU . . . -72.36 -14.85 61.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.672 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -89.09 -31.14 12.38 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.95 -50.98 72.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.911 0.386 . . . . 0.0 109.972 174.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 61.85 32.92 17.92 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.59 175.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -68.38 -15.52 63.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.185 0.517 . . . . 0.0 110.839 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 4.0 m -63.3 -34.79 78.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.562 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -128.67 172.72 10.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.57 -176.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 18.6 p -106.52 -8.72 16.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.021 0.438 . . . . 0.0 110.805 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.1 m -94.82 159.0 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.624 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 87.5 mt -109.86 162.79 14.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.088 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.96 63.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.045 0.45 . . . . 0.0 110.67 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -130.16 124.79 33.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.425 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . 0.658 HD21 ' HB2' ' A' ' 163' ' ' HIS . 27.7 tp -82.61 148.53 27.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.364 -175.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -54.48 11.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.989 0.423 . . . . 0.0 110.514 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -79.84 -7.8 58.91 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.228 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . 0.658 ' HB2' HD21 ' A' ' 160' ' ' LEU . 88.5 m-70 -141.65 79.84 1.7 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -74.53 155.34 38.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -71.2 2.52 4.54 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -92.8 -19.48 21.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 48.4 m80 . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.196 179.641 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.6 mtt . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.126 0.489 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -127.18 125.84 41.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.626 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.28 152.38 34.22 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -138.31 112.86 8.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.09 0.472 . . . . 0.0 111.348 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.51 HG22 ' HB ' ' A' ' 129' ' ' ILE . 25.6 m -123.52 112.42 17.46 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.272 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -108.06 114.08 27.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.11 0.481 . . . . 0.0 110.414 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -108.1 108.39 19.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.159 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -91.27 118.75 30.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.665 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.0 tt -126.93 123.38 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.388 0.613 . . . . 0.0 110.676 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 19.1 m -86.44 117.71 25.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.155 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.437 HD12 HD11 ' A' ' 144' ' ' ILE . 56.9 mt -98.24 125.18 51.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 120.821 0.343 . . . . 0.0 110.387 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.12 79.36 9.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.466 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.23 151.7 11.86 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.699 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.417 ' O ' HG21 ' A' ' 18' ' ' VAL . 51.9 Cg_exo -56.49 135.18 68.87 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.861 2.374 . . . . 0.0 112.054 177.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.61 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 86.0 mtp -55.54 -32.75 63.23 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.052 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -51.9 -48.56 64.09 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.384 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.755 ' HA ' HG23 ' A' ' 20' ' ' THR . 9.1 mp -85.2 -32.94 22.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.423 -176.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 14' ' ' PRO . 90.0 t -55.92 -48.14 78.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.758 0.313 . . . . 0.0 110.182 177.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -69.14 -44.79 71.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.42 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.755 HG23 ' HA ' ' A' ' 17' ' ' LEU . 1.3 t -67.49 -22.89 65.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.722 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.3 mmm -82.27 -40.82 21.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.638 0.256 . . . . 0.0 111.126 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.2 p -79.08 -35.39 42.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.845 0.355 . . . . 0.0 111.245 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -68.6 -34.74 76.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -76.75 90.17 3.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.156 0.503 . . . . 0.0 109.777 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.602 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 27.0 pt -72.45 -16.74 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.339 -175.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.04 -9.99 59.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.49 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -107.36 -0.68 22.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.596 -178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.602 ' CZ2' HG21 ' A' ' 25' ' ' ILE . 43.4 m0 -62.16 -37.76 40.92 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.38 -29.25 47.38 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.575 1.517 . . . . 0.0 112.345 172.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.42 22.85 29.9 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.501 HD13 HG21 ' A' ' 140' ' ' ILE . 31.9 tp -130.67 -42.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.34 0.591 . . . . 0.0 109.483 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.64 -174.51 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.825 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.4 m -120.6 -39.76 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.607 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -86.77 -27.27 23.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 111.616 -175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 67.6 m-85 -88.85 108.64 19.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.064 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.34 -32.74 19.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.912 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.5 t -138.33 142.35 39.72 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.276 0.56 . . . . 0.0 110.592 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG22 ' HB2' ' A' ' 28' ' ' TRP . 86.5 t -118.15 96.91 4.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.634 176.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -94.55 101.32 13.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.601 -172.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -72.78 107.93 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.91 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 mt -71.55 -32.6 68.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.899 0.857 . . . . 0.0 109.06 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.41 166.04 32.44 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.314 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.517 ' HB3' HG22 ' A' ' 48' ' ' VAL . 21.0 ptt180 -153.42 136.25 15.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 117.861 0.83 . . . . 0.0 111.795 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.604 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 5.1 m-20 -94.59 173.8 7.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.104 176.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.38 -34.66 48.91 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.376 0.423 . . . . 0.0 112.084 -175.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 5.7 p-10 -131.09 5.99 4.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.611 0.243 . . . . 0.0 111.536 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.604 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 60.1 mttp -132.04 97.23 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 111.154 -173.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 43' ' ' ARG . 7.0 p -95.45 124.34 48.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.114 0.483 . . . . 0.0 111.035 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.1 m -104.02 100.91 10.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.035 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -118.49 153.22 34.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.556 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -111.7 120.96 43.78 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.869 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.624 ' O ' ' HA ' ' A' ' 64' ' ' SER . 77.7 mt -87.81 108.47 19.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.746 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 m -97.9 117.52 32.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.64 -176.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 58.2 mtt -94.21 -161.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.636 173.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -101.64 159.57 29.04 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.521 ' HG3' HG21 ' A' ' 62' ' ' VAL . 64.8 Cg_exo -52.28 116.1 2.61 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 177.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.38 -173.67 3.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.005 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.82 71.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.917 0.389 . . . . 0.0 111.59 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.01 -6.36 48.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.55 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.72 1.16 89.14 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -77.99 125.64 29.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.105 -0.547 . . . . 0.0 110.587 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.521 HG21 ' HG3' ' A' ' 56' ' ' PRO . 40.1 t -86.52 99.73 8.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 171.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.449 ' HE3' ' CZ3' ' A' ' 65' ' ' TRP . 11.7 m95 -70.55 97.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.671 0.748 . . . . 0.0 111.264 -173.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.624 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 34.5 t -128.32 101.62 6.31 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.902 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.496 ' HA ' ' OE2' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -107.32 136.63 46.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.465 0.65 . . . . 0.0 112.289 -174.393 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.76 126.22 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.445 175.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -133.38 131.71 40.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.373 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -102.59 126.49 49.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.761 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -121.84 122.38 39.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.935 0.398 . . . . 0.0 111.146 -176.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.513 HG21 ' HG2' ' A' ' 47' ' ' LYS . 62.0 t -100.84 114.62 40.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.7 176.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.85 102.26 11.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.199 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -103.25 107.54 55.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.131 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.43 -21.35 30.5 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.266 2.644 . . . . 0.0 112.773 -177.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.22 -54.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.974 0.416 . . . . 0.0 110.417 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.1 p -79.68 -12.19 59.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.759 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 61.06 33.56 19.54 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.375 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.7 m -124.39 122.55 38.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.385 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.1 t -110.33 116.56 52.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.127 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.47 ' HB3' HD22 ' A' ' 92' ' ' ASN . 99.2 mtt180 -105.41 115.69 30.68 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.882 -178.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.21 106.26 16.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.187 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -100.66 127.15 47.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -89.63 114.42 26.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.851 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.7 t -75.87 -43.86 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.713 -175.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' OE2' ' HA ' ' A' ' 65' ' ' TRP . 38.2 mt-10 -80.01 96.07 6.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.434 0.635 . . . . 0.0 109.469 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.53 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 12.8 p -89.65 -67.92 0.81 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.345 -170.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.435 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 103.45 -104.28 2.48 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 6.3 Cg_exo -73.94 -30.3 9.29 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.69 2.26 . . . . 0.0 111.0 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 82.3 m-85 -70.94 148.89 47.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.228 -178.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -89.99 -44.47 9.84 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -145.17 140.8 28.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.971 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.518 ' SD ' ' HB3' ' A' ' 112' ' ' PHE . 14.5 tpt -140.11 104.28 4.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.571 0.224 . . . . 0.0 110.744 -177.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.47 HD22 ' HB3' ' A' ' 79' ' ' ARG . 3.0 t-20 -125.16 114.21 18.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.955 0.407 . . . . 0.0 110.911 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 mt -93.63 112.67 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.775 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.2 t -98.99 115.24 39.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.841 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.426 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 43.6 m0 -96.15 111.39 23.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.787 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -109.62 119.89 40.8 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.662 0.268 . . . . 0.0 110.518 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.78 128.28 45.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.948 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.76 149.33 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.339 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.61 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 41.4 mt-10 -85.03 121.86 28.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.977 178.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.2 m -145.02 157.45 44.12 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.69 -25.56 62.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.781 0.324 . . . . 0.0 111.522 -173.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -77.15 -14.53 59.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.969 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.24 -169.26 24.32 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.9 m -80.92 111.86 17.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.805 0.336 . . . . 0.0 110.298 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.428 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 81.7 t -83.45 112.23 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.418 ' HE3' ' HE2' ' A' ' 137' ' ' MET . 42.7 ttp -107.65 122.18 46.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.031 0.443 . . . . 0.0 110.428 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -91.39 119.38 31.34 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.929 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -92.57 85.78 5.4 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 15.0 m -96.27 107.31 19.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.357 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -91.77 112.17 23.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.016 0.436 . . . . 0.0 110.416 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -98.55 99.28 10.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.322 -0.854 . . . . 0.0 108.751 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.518 ' HB3' ' SD ' ' A' ' 91' ' ' MET . 33.1 p90 -126.87 118.13 23.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.594 0.711 . . . . 0.0 111.755 -174.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -89.69 125.95 35.46 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 53.3 ttp -170.9 150.32 3.14 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.64 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 37.7 tttp -156.81 -50.05 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 123.326 0.391 . . . . 0.0 110.894 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.64 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 31.1 Cg_exo -64.5 139.66 65.55 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.069 1.846 . . . . 0.0 112.116 175.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 38.9 t70 75.73 -19.15 0.42 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.669 0.788 . . . . 0.0 111.503 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' A' ' 116' ' ' PRO . . . -103.53 107.42 56.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.848 0.356 . . . . 0.0 110.98 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -86.15 32.45 0.46 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.56 2.84 . . . . 0.0 111.772 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.529 HG13 ' HD1' ' A' ' 124' ' ' TRP . 33.0 m -94.11 170.63 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.596 -173.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -125.08 35.51 4.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.129 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.3 t70 68.29 -67.78 0.19 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.135 -0.938 . . . . 0.0 111.267 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.71 -22.16 65.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.876 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.529 ' HD1' HG13 ' A' ' 120' ' ' VAL . 73.1 t-105 -63.9 -41.86 97.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.357 0.598 . . . . 0.0 109.428 175.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.44 ' HE1' HD13 ' A' ' 129' ' ' ILE . 95.2 mtp -79.39 -36.65 38.83 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.911 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 130' ' ' ASN . 31.5 m -53.83 -46.87 71.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 13.5 t70 -66.79 -52.19 46.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.752 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -58.79 -51.99 67.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.092 0.472 . . . . 0.0 111.275 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.51 ' HB ' HG22 ' A' ' 5' ' ' THR . 89.9 mt -66.55 -32.03 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.233 -176.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 126' ' ' THR . 18.2 t-20 -58.57 -44.15 89.64 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 44.8 mtt-85 -72.46 -46.61 54.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.231 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -57.04 -57.56 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.329 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.4 m -65.2 -36.04 82.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.139 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 134' ' ' ARG . 13.0 ttm180 -64.23 -46.69 82.71 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.048 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.9 m -62.83 -45.73 91.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.967 0.413 . . . . 0.0 110.281 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -60.02 -50.81 72.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.022 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.502 ' SD ' HD11 ' A' ' 140' ' ' ILE . 88.5 mmm -76.79 -14.03 59.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.266 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.85 -40.0 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.484 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 52.4 tp -63.04 -45.16 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.545 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.502 HD11 ' SD ' ' A' ' 137' ' ' MET . 51.5 mt -64.06 -42.28 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.717 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -44.82 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 174.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -65.27 -43.17 92.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 3.0 mmp_? -61.64 -41.39 97.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.85 178.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.437 HD11 HD12 ' A' ' 11' ' ' ILE . 60.9 mt -67.39 -43.31 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.71 -42.24 98.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 110.086 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.69 -43.44 80.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.556 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.96 -40.84 68.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.175 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.457 ' HA ' HD21 ' A' ' 17' ' ' LEU . . . -71.17 -23.42 62.05 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -81.83 -37.63 15.87 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.447 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.9 -53.64 12.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 0.0 110.894 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -115.05 133.37 56.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.625 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -132.87 -178.77 5.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.526 -173.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 6.7 m -67.44 -20.24 65.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.892 0.377 . . . . 0.0 110.384 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . 69.95 -170.82 0.17 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.222 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 25.8 t -144.38 89.32 2.0 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.12 0.486 . . . . 0.0 110.356 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 39.7 t -103.67 105.8 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 52.2 mt -83.19 -43.75 15.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.533 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -159.1 166.87 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.113 0.482 . . . . 0.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -123.83 -30.07 3.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.616 174.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 92.3 mt -118.62 175.82 5.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.739 173.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.96 178.98 5.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.6 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.452 ' O ' ' HA ' ' A' ' 166' ' ' HIS . 10.7 m-70 -84.5 -25.46 28.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 111.317 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -80.9 -29.46 35.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.425 0.631 . . . . 0.0 109.547 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -76.49 -49.75 15.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.183 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -118.09 101.73 8.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.552 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.452 ' HA ' ' O ' ' A' ' 162' ' ' HIS . 10.1 t-160 -64.09 -50.44 68.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -171.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.517 -0.754 . . . . 0.0 109.867 179.314 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.604 0.24 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -116.32 122.0 43.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.732 0.301 . . . . 0.0 110.744 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -116.38 144.1 18.3 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.824 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -104.55 82.0 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 m -83.96 114.89 22.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.397 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -113.78 90.24 3.29 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.42 104.61 16.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.636 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 25.0 mt-10 -95.4 155.99 16.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.088 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 tt -158.09 140.25 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.007 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 m -96.79 113.93 25.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.53 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.514 HG12 ' HG3' ' A' ' 141' ' ' ARG . 53.3 mt -98.93 129.65 48.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.84 -13.46 58.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.935 0.398 . . . . 0.0 111.375 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.52 150.94 97.6 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.203 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.31 153.14 79.2 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.758 2.305 . . . . 0.0 112.773 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 83.9 mmm -50.97 -37.22 43.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.128 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.35 -76.9 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.186 0 O-C-N 123.589 0.556 . . . . 0.0 111.673 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -51.87 -42.83 62.96 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 122.6 0.36 . . . . 0.0 111.918 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -53.48 -55.5 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 O-C-N 123.057 0.223 . . . . 0.0 111.423 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.455 ' CH2' ' HA ' ' A' ' 76' ' ' ARG . 9.9 t-105 -69.45 -47.3 64.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.7 m -51.68 -53.06 43.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.458 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 mtt -75.32 -48.51 22.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.719 0.295 . . . . 0.0 111.729 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -69.03 -27.23 65.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' TRP . 28.7 m-80 -90.85 -9.39 46.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -176.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -96.14 111.46 23.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 171.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.512 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 25.7 pt -72.11 -9.01 12.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.691 -168.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.39 -3.04 58.08 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.16 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HB3' HD11 ' A' ' 31' ' ' LEU . 10.1 mptt -106.45 3.94 27.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.968 0.413 . . . . 0.0 110.327 175.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.512 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 35.5 m0 -64.53 -51.08 62.06 Favored Pre-proline 0 C--O 1.218 -0.59 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.267 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 9.5 Cg_endo -54.33 -31.88 69.39 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.855 1.703 . . . . 0.0 112.96 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.07 -53.46 4.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.522 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 27' ' ' LYS . 11.1 mp -73.39 -55.11 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.401 . . . . 0.0 111.035 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.466 ' CD2' HD13 ' A' ' 140' ' ' ILE . 2.0 t80 -93.13 87.45 5.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -78.51 85.47 4.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.285 0.564 . . . . 0.0 110.403 -174.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -163.9 -43.81 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.389 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.487 ' HD1' ' SD ' ' A' ' 54' ' ' MET . 27.5 m-85 -73.88 141.79 46.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.845 177.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.33 -67.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.903 0.382 . . . . 0.0 111.056 -178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.556 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 17.8 m -121.74 109.38 14.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.018 0.437 . . . . 0.0 110.833 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.483 HG12 ' HB ' ' A' ' 25' ' ' ILE . 49.0 t -92.83 103.8 15.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.628 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 6.2 mm-40 -98.73 139.59 34.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.597 -172.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.506 HG21 HD12 ' A' ' 25' ' ' ILE . 24.0 t -90.6 112.8 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.835 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD11 HG23 ' A' ' 49' ' ' THR . 83.7 mt -90.18 -29.39 18.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.997 0.427 . . . . 0.0 110.628 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.73 156.31 12.53 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.563 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -125.59 106.14 9.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.91 0.355 . . . . 0.0 110.5 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -107.36 157.5 17.91 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -45.46 -45.65 13.15 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.04 0.837 . . . . 0.0 112.168 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -116.87 6.33 13.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.671 -177.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -145.42 95.1 2.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.697 0.284 . . . . 0.0 111.596 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.802 HG12 ' HB3' ' A' ' 69' ' ' ARG . 3.5 p -95.95 96.29 5.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.806 0.812 . . . . 0.0 108.971 171.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.432 HG23 HD11 ' A' ' 41' ' ' LEU . 14.0 m -79.33 123.81 27.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.781 -175.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CE1' ' HG ' ' A' ' 52' ' ' LEU . 55.1 p90 -124.81 155.91 38.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.136 0.493 . . . . 0.0 111.12 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.628 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 41.4 ttt180 -113.68 112.11 22.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.915 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' HG ' ' CE1' ' A' ' 50' ' ' PHE . 28.7 mt -86.99 100.54 12.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.236 0.541 . . . . 0.0 110.444 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.556 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 29.4 m -97.12 114.8 26.51 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.119 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.487 ' SD ' ' HD1' ' A' ' 35' ' ' TYR . 90.3 mmm -87.31 167.49 14.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -57.32 134.99 81.38 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.496 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.92 118.34 4.67 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 123.015 2.476 . . . . 0.0 111.634 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -57.37 149.3 20.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.311 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.35 -26.45 60.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.86 -10.03 59.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.995 0.426 . . . . 0.0 110.877 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.04 40.48 4.58 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.466 176.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -125.37 124.48 41.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.4 t -91.16 107.77 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.873 0.368 . . . . 0.0 110.245 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.562 ' HE3' ' HZ3' ' A' ' 65' ' ' TRP . 11.6 m95 -75.44 101.6 4.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.424 0.63 . . . . 0.0 110.7 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 m -126.0 114.86 19.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.199 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.562 ' HZ3' ' HE3' ' A' ' 63' ' ' TRP . 9.9 p90 -115.04 135.84 53.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.284 0.564 . . . . 0.0 110.929 177.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.8 t -89.38 134.4 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.205 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 33.5 t -138.63 139.25 38.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.94 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -103.26 123.19 46.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.802 ' HB3' HG12 ' A' ' 48' ' ' VAL . 67.5 ttt180 -103.42 123.72 47.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.177 -172.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -106.84 103.05 14.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.222 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.69 107.12 18.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.689 0.281 . . . . 0.0 110.412 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 14.5 t70 -102.6 105.23 43.11 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.805 177.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 10.2 Cg_exo -71.67 -22.6 23.9 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 123.158 2.572 . . . . 0.0 112.661 -176.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.43 -49.55 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.176 0.512 . . . . 0.0 110.826 -176.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 m -88.55 -4.67 58.55 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.517 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 3.1 mpt_? 57.03 42.01 26.68 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.444 0.64 . . . . 0.0 110.077 -175.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 94.3 m -124.74 121.12 33.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.584 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 22.5 t -107.44 100.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.262 0.553 . . . . 0.0 109.586 176.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -92.32 111.28 22.79 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.67 -174.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.96 112.43 24.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.909 0.385 . . . . 0.0 110.831 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -103.97 128.26 51.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.248 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -89.24 109.18 20.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.2 t -63.46 -42.5 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.369 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -76.55 111.62 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.35 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.8 p -95.83 -74.86 0.54 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.019 -172.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.6 -128.79 8.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.788 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 116' ' ' PRO . 18.3 Cg_endo -60.99 -36.64 81.84 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.534 2.156 . . . . 0.0 111.557 176.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.547 ' HZ ' ' HE2' ' A' ' 125' ' ' MET . 79.0 m-85 -87.66 92.87 9.26 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.299 175.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.02 -29.77 70.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.289 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.653 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 36.0 t80 -132.33 121.7 23.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.317 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 82.4 mmm -129.94 96.4 4.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -123.6 105.3 9.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.752 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.508 HG12 ' HG3' ' A' ' 110' ' ' GLN . 9.5 mt -105.46 107.41 22.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.142 0.496 . . . . 0.0 110.384 -176.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 93.8 t -94.67 108.97 21.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.913 -178.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.552 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 20.8 m0 -90.46 105.7 18.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.633 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.1 tt0 -102.66 136.87 41.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.607 -176.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -120.11 128.7 53.7 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -124.2 126.13 45.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.764 0.316 . . . . 0.0 111.396 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.54 109.18 4.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.958 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 m -120.62 157.75 28.86 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.04 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 111.191 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -76.64 -36.79 57.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.421 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 162.9 -169.32 38.06 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.703 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 86.2 m -81.69 109.47 16.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.948 0.404 . . . . 0.0 110.628 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.7 t -84.66 121.1 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.482 ' HA ' ' O ' ' A' ' 96' ' ' GLU . 52.9 ttp -111.03 129.22 55.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.751 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.636 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 50.4 mtt-85 -100.85 126.85 47.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.984 175.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -98.87 83.92 3.01 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 166.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.546 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 8.9 m -88.16 92.47 9.16 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.269 -177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.508 ' HG3' HG12 ' A' ' 93' ' ' ILE . 53.4 tt0 -96.95 101.04 12.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.031 0.443 . . . . 0.0 110.608 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.4 95.92 8.91 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 172.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 25.6 p90 -109.53 134.66 51.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.328 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.653 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -124.39 103.96 8.5 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.563 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 19.6 ptm -116.14 147.01 41.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.989 0.423 . . . . 0.0 110.662 -176.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.745 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 87.9 tttt -157.18 -54.93 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.361 -173.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 24.9 Cg_exo -63.19 115.86 3.24 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.78 1.653 . . . . 0.0 111.954 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 64.29 28.41 13.83 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.273 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.24 104.61 30.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -82.84 -3.82 11.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.712 2.274 . . . . 0.0 112.187 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.464 HG21 ' HG2' ' A' ' 125' ' ' MET . 29.1 m -79.59 146.76 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.393 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.84 44.93 1.13 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.995 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.6 t70 69.94 -68.73 0.19 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.192 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.86 -21.35 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.771 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.402 ' HB3' ' HB ' ' A' ' 120' ' ' VAL . 74.9 t-105 -64.08 -43.81 94.3 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.888 0.375 . . . . 0.0 110.183 178.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.563 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 90.5 mmm -74.74 -29.89 61.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.4 m -53.97 -53.42 53.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.324 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.55 -33.86 67.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.44 179.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -61.06 -48.34 82.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.425 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.62 -41.55 93.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.441 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -53.26 -52.91 57.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.117 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -64.58 -47.97 76.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.246 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.575 ' O ' ' HG2' ' A' ' 136' ' ' GLN . 8.8 t30 -59.06 -58.07 10.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 137' ' ' MET . 31.4 m -64.77 -37.67 88.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -175.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -54.49 -48.68 71.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.928 0.395 . . . . 0.0 110.36 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 25.7 m -62.86 -40.4 97.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 132' ' ' ASN . 9.9 mm100 -70.12 -36.24 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 133' ' ' SER . 27.1 mmt -63.63 -48.18 78.34 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.557 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.54 83.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.324 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.413 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 2.1 tm? -61.44 -49.66 75.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.906 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 32' ' ' PHE . 70.3 mt -63.1 -47.61 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.212 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.514 ' HG3' HG12 ' A' ' 11' ' ' ILE . 62.6 ttp85 -56.13 -45.43 79.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.961 0.41 . . . . 0.0 110.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 35.7 t70 -58.21 -51.99 67.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.536 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 25.7 mmt85 -57.28 -48.67 78.31 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.612 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 50.3 mt -66.15 -43.33 92.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.317 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.82 -21.95 58.99 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.522 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 96.5 mt-30 -69.54 -32.86 71.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 170.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.16 -45.1 20.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.807 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.24 -26.72 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.541 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -80.42 -27.86 50.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.144 -0.55 . . . . 0.0 111.957 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -75.55 -23.68 56.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.305 0.574 . . . . 0.0 109.735 176.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -59.56 124.56 20.48 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -60.36 -46.74 88.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.718 0.294 . . . . 0.0 111.246 -171.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 26.5 p -127.99 154.0 46.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.979 176.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.78 127.86 34.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 39.8 m -64.37 -19.61 65.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 17.4 m -91.82 136.37 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.782 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 90.1 mt -93.35 114.51 26.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.84 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -83.18 101.5 11.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.042 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -73.38 140.16 46.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.579 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 96.7 mt -119.01 -178.22 3.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.802 -175.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -65.35 -54.3 30.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.812 -176.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -111.04 123.14 49.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.894 0.378 . . . . 0.0 111.014 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -107.2 114.92 29.28 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -109.25 127.06 53.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.33 -178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -96.93 144.5 26.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.42 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -60.74 -54.47 44.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.304 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 40.1 m80 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.253 -178.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 112' ' ' PHE . . . -126.37 156.83 39.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.485 -177.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.435 ' CA ' ' HB3' ' A' ' 122' ' ' ASP . . . -74.44 125.49 8.69 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.038 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.506 ' HD2' ' HA ' ' A' ' 111' ' ' ASP . 32.2 m170 -124.93 102.09 7.37 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.182 0.515 . . . . 0.0 110.335 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' A' ' 126' ' ' THR . 24.3 m -99.26 125.88 44.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.08 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' CG ' HH21 ' A' ' 107' ' ' ARG . 23.2 t0 -123.48 97.99 5.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.701 HD22 ' HB2' ' A' ' 134' ' ' ARG . 21.6 t-20 -105.17 109.05 20.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.339 -177.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.603 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 29.7 mt-10 -100.29 127.42 46.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.01 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 mm -121.39 116.12 48.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.141 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.3 m -80.79 103.64 10.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.016 0.436 . . . . 0.0 110.62 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.47 HG12 ' HG3' ' A' ' 141' ' ' ARG . 45.7 mt -97.12 128.97 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.68 35.56 0.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.176 0.513 . . . . 0.0 110.949 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.87 147.98 42.32 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.344 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' O ' HG22 ' A' ' 18' ' ' VAL . 52.5 Cg_exo -53.97 130.65 40.41 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 123.103 2.535 . . . . 0.0 112.46 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.0 ttm -55.51 -32.32 62.79 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.394 -178.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.18 -45.87 86.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.8 mp -75.36 -41.84 55.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.123 -179.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 14' ' ' PRO . 59.3 t -55.46 -46.18 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -65.5 -48.11 73.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 17' ' ' LEU . 13.5 t -69.2 -33.91 74.07 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.185 -174.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.6 mtt -73.62 -31.06 63.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.633 0.254 . . . . 0.0 111.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.1 p -89.92 -11.83 40.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.058 0.456 . . . . 0.0 110.709 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.06 -41.18 74.49 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.925 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.431 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 15.4 t0 -73.76 101.73 3.78 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.932 178.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.496 HD12 HG21 ' A' ' 40' ' ' VAL . 42.6 pt -75.43 -12.25 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.416 -176.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -85.64 -1.28 56.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.409 0.623 . . . . 0.0 109.863 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HD2' ' HB3' ' A' ' 24' ' ' ASP . 49.6 mttp -101.48 -9.73 20.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.343 175.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.52 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 44.5 m0 -56.69 -49.26 94.71 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.381 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.8 Cg_endo -60.06 -14.91 30.7 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.08 1.853 . . . . 0.0 112.585 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.57 -40.53 5.33 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.1 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD22 HG22 ' A' ' 140' ' ' ILE . 10.8 mp -85.4 -48.71 8.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 111.038 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.03 111.95 20.78 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -89.02 -11.22 44.83 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -77.15 -20.17 55.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.08 0.467 . . . . 0.0 110.563 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -105.27 160.07 15.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.12 -54.91 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.515 -176.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.5 m -147.31 150.95 35.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.936 0.398 . . . . 0.0 111.325 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG22 ' HB2' ' A' ' 28' ' ' TRP . 74.5 t -123.77 107.19 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.407 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -98.01 132.67 43.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.758 -175.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.496 HG21 HD12 ' A' ' 25' ' ' ILE . 54.0 t -77.44 111.78 14.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.8 tp -80.12 -34.07 38.15 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.46 156.26 15.75 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.624 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -122.47 85.34 2.4 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -90.37 100.99 13.73 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.551 -171.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 65.89 -83.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.775 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -129.94 -3.03 4.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HG2' HG22 ' A' ' 70' ' ' VAL . 97.2 mttt -88.02 127.37 35.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.321 177.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.427 HG13 HH21 ' A' ' 69' ' ' ARG . 6.1 p -108.8 104.28 16.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.819 0.819 . . . . 0.0 110.024 176.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.435 HG21 ' HG2' ' A' ' 68' ' ' GLU . 38.2 m -92.41 118.24 30.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.031 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 67' ' ' SER . 50.8 p90 -113.93 142.29 46.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.495 0.664 . . . . 0.0 111.009 -177.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -105.42 101.58 11.1 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.371 175.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 64' ' ' SER . 3.4 tt -82.65 116.06 21.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.551 -174.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.1 m -100.71 108.64 20.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.436 0.636 . . . . 0.0 110.366 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.479 ' HB3' ' HB2' ' A' ' 63' ' ' TRP . 16.4 ttt -98.94 167.76 10.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -62.57 131.85 94.23 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.719 0.295 . . . . 0.0 111.583 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HB3' HG23 ' A' ' 62' ' ' VAL . 26.6 Cg_endo -62.96 146.28 94.75 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.936 2.424 . . . . 0.0 111.954 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -90.42 -170.63 2.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.22 -19.66 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 111.061 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.51 -25.37 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.289 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.61 -1.21 87.11 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 -170.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -73.89 109.3 7.28 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.399 -0.9 . . . . 0.0 109.53 176.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.412 HG23 ' HB3' ' A' ' 56' ' ' PRO . 56.0 t -74.96 120.68 24.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 65' ' ' TRP . 49.3 m0 -76.48 83.93 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.991 0.424 . . . . 0.0 110.247 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 11.3 t -121.0 110.51 16.36 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.519 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 63' ' ' TRP . 2.7 p90 -119.5 147.95 43.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.429 -175.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.15 128.02 42.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.341 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 14.7 m -134.81 138.55 44.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.788 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.435 ' HG2' HG21 ' A' ' 49' ' ' THR . 57.6 mt-10 -107.36 128.91 54.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.427 HH21 HG13 ' A' ' 48' ' ' VAL . 29.6 ttp180 -119.58 125.06 47.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.86 0.362 . . . . 0.0 111.179 -176.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.472 HG22 ' HG2' ' A' ' 47' ' ' LYS . 29.3 t -115.62 117.78 56.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.489 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -119.36 102.89 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.183 -175.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 3.7 p-10 -97.22 121.48 58.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.402 0.62 . . . . 0.0 109.906 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 10.0 Cg_exo -73.05 -8.53 22.32 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.107 2.538 . . . . 0.0 111.789 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.39 -56.34 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.391 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.67 -6.47 46.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.59 -177.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? 62.93 46.84 4.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.223 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.5 m -131.48 123.08 27.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.134 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.575 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.2 t -108.49 112.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.101 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 74.6 mtt85 -101.08 110.7 22.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.603 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' HB2' ' HG3' ' A' ' 69' ' ' ARG . . . -111.16 100.17 8.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.771 0.32 . . . . 0.0 110.476 177.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -93.65 119.93 33.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 0.0 110.644 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -90.6 111.2 22.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.928 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 52.5 t -66.59 -58.78 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.52 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -82.82 94.05 7.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.451 0.643 . . . . 0.0 109.776 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -82.29 -21.99 35.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.485 -174.157 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.63 -112.93 3.83 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.815 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.96 -26.31 15.44 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.942 2.428 . . . . 0.0 111.912 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 25.8 m-85 -82.11 168.67 17.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.69 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -101.48 -63.66 1.12 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.219 0.533 . . . . 0.0 109.63 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -114.01 148.16 37.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.466 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 52.3 ttm -164.42 108.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.011 0.434 . . . . 0.0 111.165 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -112.28 113.25 25.37 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.523 HG22 ' HG2' ' A' ' 110' ' ' GLN . 41.7 mt -91.59 103.23 14.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.212 -177.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.9 t -98.55 113.22 32.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.05 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.575 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 19.0 m0 -92.03 100.29 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 172.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -97.31 130.21 44.51 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -109.06 109.2 20.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.2 119.13 38.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -81.77 129.88 34.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.13 0.491 . . . . 0.0 110.652 -176.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.6 m -124.55 162.74 23.39 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.29 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.41 68.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 0.0 111.754 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -97.48 2.74 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.1 -169.42 24.73 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.249 -0.976 . . . . 0.0 112.321 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -95.93 119.19 33.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.604 0.24 . . . . 0.0 110.675 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 91.9 t -80.23 103.91 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.319 0.58 . . . . 0.0 109.712 174.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.475 ' SD ' ' HD1' ' A' ' 108' ' ' TRP . 11.6 tmm? -89.06 121.04 31.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.267 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.603 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 71.6 mtp180 -106.2 123.21 47.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.582 0.229 . . . . 0.0 111.451 -177.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.475 ' HD1' ' SD ' ' A' ' 106' ' ' MET . 0.9 OUTLIER -96.0 82.59 3.53 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 169.708 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.4 m -95.19 101.62 13.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.877 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.523 ' HG2' HG22 ' A' ' 93' ' ' ILE . 55.3 mt-30 -103.1 118.05 35.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.989 0.423 . . . . 0.0 110.99 -176.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.506 ' HA ' ' HD2' ' A' ' 4' ' ' HIS . 9.4 m-20 -93.85 98.56 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 54.9 p90 -122.25 156.68 33.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.411 . . . . 0.0 110.626 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.14 121.14 14.63 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.803 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 93.9 mmm -80.33 141.46 35.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 17.6 tptp -131.98 -47.18 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -177.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.434 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 51.1 Cg_exo -58.02 -9.77 6.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.023 1.815 . . . . 0.0 112.99 177.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 66.6 74.14 0.35 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.546 0.688 . . . . 0.0 110.252 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.428 ' HB2' ' HD2' ' A' ' 119' ' ' PRO . . . -91.37 161.32 34.99 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.28 178.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 118' ' ' ALA . 10.5 Cg_endo -55.14 -36.46 93.13 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.716 2.277 . . . . 0.0 111.47 176.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.7 m -75.67 112.98 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.621 0.724 . . . . 0.0 109.888 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -80.11 165.22 22.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.444 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.435 ' HB3' ' CA ' ' A' ' 3' ' ' GLY . 5.8 m-20 -56.54 -36.42 69.22 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.54 84.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -64.72 -41.89 95.65 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.88 0.372 . . . . 0.0 110.068 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.513 ' HE3' ' HZ ' ' A' ' 88' ' ' PHE . 82.7 mmm -65.6 -34.7 78.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.632 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.452 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 88.8 m -57.65 -44.47 85.67 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 110.127 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.1 -44.37 80.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -58.51 -53.18 61.21 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.445 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.45 -42.54 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.677 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -55.58 -51.82 65.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 131' ' ' ARG . 48.3 mtm180 -69.95 -44.34 69.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.31 -178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -62.18 -49.67 74.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.674 0.273 . . . . 0.0 110.84 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.1 m -61.58 -45.43 94.17 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.701 ' HB2' HD22 ' A' ' 7' ' ' ASN . 46.1 ttm180 -58.32 -38.35 76.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.329 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 20.4 m -70.97 -53.49 14.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -67.74 -41.34 83.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.714 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 93.8 mmm -74.16 -20.6 60.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.865 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 141' ' ' ARG . . . -71.74 -37.0 70.62 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 172.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 46.2 tp -60.88 -49.22 78.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.632 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.503 HG22 HD22 ' A' ' 31' ' ' LEU . 65.9 mt -66.03 -37.32 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.367 177.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.47 ' HG3' HG12 ' A' ' 11' ' ' ILE . 44.8 ttt-85 -51.96 -52.55 49.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.494 176.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.37 -46.41 90.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.756 0.312 . . . . 0.0 110.3 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -56.36 -49.06 75.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.104 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.428 HG21 HG23 ' A' ' 18' ' ' VAL . 31.9 mm -61.47 -46.81 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.328 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.97 -37.52 78.84 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.737 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.43 -43.2 98.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.099 0.476 . . . . 0.0 110.069 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.86 67.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.017 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.56 -33.14 68.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.395 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -70.34 -30.99 68.8 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.541 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.75 -33.23 72.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.804 0.335 . . . . 0.0 110.761 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? 59.06 74.31 0.45 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.679 -170.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -67.63 121.56 16.16 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.174 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.7 m -61.98 134.89 57.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.06 108.34 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 20.3 m -70.26 114.27 8.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.333 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.5 HG13 ' HB1' ' A' ' 158' ' ' ALA . 57.6 t -93.25 121.37 43.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.129 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.95 -59.12 4.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.5 ' HB1' HG13 ' A' ' 156' ' ' VAL . . . 60.01 23.26 12.41 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.485 172.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -80.26 123.31 27.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.5 mt -86.16 164.93 16.95 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -168.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.9 -43.65 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.505 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -83.76 1.84 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.352 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -80.5 -23.38 40.15 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 168.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -104.64 -174.82 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.088 -1.414 . . . . 0.0 108.2 168.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 51.66 77.35 0.14 Allowed 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.712 0.291 . . . . 0.0 111.153 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -115.35 141.94 47.37 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.305 0.574 . . . . 0.0 111.922 -175.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 44.0 m80 . . . . . 0 C--O 1.247 0.935 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.364 178.286 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.402 0.144 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.58 120.21 0.47 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.225 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.76 94.96 2.05 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -86.36 89.07 7.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.441 HG21 HG23 ' A' ' 126' ' ' THR . 6.6 m -97.28 106.79 19.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.275 -175.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -109.14 103.96 13.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.963 0.411 . . . . 0.0 110.577 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.65 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 27.1 m-80 -97.84 99.02 10.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.028 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.902 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 36.1 mt-10 -93.2 123.35 36.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.037 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.1 tt -131.55 138.22 53.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.887 0.375 . . . . 0.0 110.215 173.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.5 m -94.97 109.48 21.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.047 0.451 . . . . 0.0 110.933 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.508 HG12 ' HG3' ' A' ' 141' ' ' ARG . 43.6 mt -97.82 126.3 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.016 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.97 30.87 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.445 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.14 154.18 55.78 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.087 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.545 ' HB2' HD12 ' A' ' 17' ' ' LEU . 47.0 Cg_exo -56.86 139.71 89.88 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.866 2.378 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.72 ' SD ' ' HB2' ' A' ' 99' ' ' GLU . 77.8 mtp -51.72 -47.93 63.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.036 -175.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.51 -33.99 73.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.303 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 14' ' ' PRO . 10.3 mp -71.25 -41.59 69.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.2 -46.74 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.943 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.514 ' HZ2' ' HB2' ' A' ' 71' ' ' ALA . 17.2 t-105 -55.7 -62.44 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.925 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -62.12 -32.83 73.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -172.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.6 mmm -81.62 -41.78 20.99 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -82.47 -27.76 31.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.778 0.323 . . . . 0.0 111.474 -175.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -84.26 -8.63 58.98 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.036 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -82.08 96.61 7.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 40' ' ' VAL . 32.8 pt -65.61 -20.65 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.172 -170.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.77 -11.85 61.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.114 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -100.29 -7.69 24.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.246 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.449 ' HB2' HG22 ' A' ' 38' ' ' VAL . 47.5 m0 -60.68 -43.34 91.85 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.64 -22.53 44.32 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.022 1.815 . . . . 0.0 112.882 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.86 23.24 14.96 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.936 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.541 ' HG ' HG12 ' A' ' 140' ' ' ILE . 59.7 tp -138.76 -53.76 0.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.142 0.496 . . . . 0.0 109.769 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.06 155.38 28.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.678 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -90.36 -34.1 15.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.809 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -86.37 -16.6 36.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -170.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -107.09 125.93 51.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.965 0.412 . . . . 0.0 111.354 -171.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.32 -38.64 11.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.732 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.541 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 40.6 t -140.46 144.34 36.02 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.448 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.477 HG12 ' HB ' ' A' ' 25' ' ' ILE . 68.0 t -139.2 109.51 4.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -107.49 148.49 29.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.034 0.445 . . . . 0.0 111.591 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG22 HD13 ' A' ' 25' ' ' ILE . 42.5 t -85.73 111.95 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.6 tp -85.82 -14.09 46.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.334 0.588 . . . . 0.0 109.948 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.9 156.24 7.56 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.297 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.6 ' HB3' HG22 ' A' ' 48' ' ' VAL . 20.4 ptt180 -150.84 122.14 7.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.331 0.586 . . . . 0.0 111.024 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -134.98 95.76 3.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.757 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t70 65.91 -80.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 O-C-N 124.013 0.821 . . . . 0.0 111.48 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -102.78 -40.25 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.656 0.741 . . . . 0.0 109.374 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -79.54 94.17 5.57 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.525 -170.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.6 HG22 ' HB3' ' A' ' 43' ' ' ARG . 3.2 p -112.9 108.17 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.859 0.838 . . . . 0.0 110.317 173.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.542 HG23 ' HG2' ' A' ' 68' ' ' GLU . 7.2 m -87.1 129.86 34.75 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.055 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -124.51 150.16 46.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.443 0.64 . . . . 0.0 111.456 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -110.43 118.17 35.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.145 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 64' ' ' SER . 47.7 mt -96.99 107.59 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.05 0.452 . . . . 0.0 110.715 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 27.3 m -109.11 125.69 52.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.517 -174.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.647 ' HE2' ' HH2' ' A' ' 65' ' ' TRP . 41.2 mtt -97.84 -175.07 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.024 174.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -69.04 149.4 97.79 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.015 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.479 ' HB3' HG23 ' A' ' 62' ' ' VAL . 18.0 Cg_endo -60.62 123.92 14.01 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.722 2.281 . . . . 0.0 111.434 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.47 163.9 19.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.846 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.01 -16.68 60.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -78.07 -2.32 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.214 0.53 . . . . 0.0 110.376 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.96 29.47 46.61 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.745 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -128.59 130.22 47.04 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 56' ' ' PRO . 26.3 t -88.66 124.68 41.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.088 -178.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -87.21 102.03 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.275 0.56 . . . . 0.0 110.461 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 34.7 t -136.79 116.42 12.95 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.96 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.647 ' HH2' ' HE2' ' A' ' 54' ' ' MET . 43.6 p90 -111.95 161.75 16.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.094 0.473 . . . . 0.0 110.659 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.8 t -104.56 138.11 30.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.868 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.1 m -144.95 158.93 43.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.542 ' HG2' HG23 ' A' ' 49' ' ' THR . 19.7 mt-10 -123.0 134.64 54.31 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.448 -175.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.516 ' HB3' HG12 ' A' ' 48' ' ' VAL . 42.8 ttt-85 -107.86 126.45 52.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.891 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.0 t -119.1 100.67 10.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 172.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HB2' ' HZ2' ' A' ' 19' ' ' TRP . . . -98.36 105.57 17.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.726 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -80.02 111.66 23.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.15 -19.63 19.89 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.942 2.428 . . . . 0.0 112.904 -174.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.24 -51.21 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.025 0.441 . . . . 0.0 110.555 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -84.98 -11.42 55.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.346 0.593 . . . . 0.0 110.124 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 58.04 51.21 9.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.396 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.5 m -129.84 125.18 35.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.047 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.554 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 24.6 t -104.63 108.82 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.82 0.343 . . . . 0.0 110.704 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -100.87 109.19 21.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.976 0.417 . . . . 0.0 110.353 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' A' ' 68' ' ' GLU . . . -111.85 107.76 16.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -86.64 141.7 28.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.929 0.395 . . . . 0.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.519 ' HB3' ' HB3' ' A' ' 91' ' ' MET . 23.5 ttt180 -91.73 122.38 34.23 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.4 t -83.13 -56.87 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.82 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 10.8 mm-40 -75.25 123.97 26.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.923 0.392 . . . . 0.0 110.681 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.616 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 35.1 p -76.35 -88.09 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -170.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.2 -123.6 7.67 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -174.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -72.52 -15.97 27.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 111.791 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.616 ' O ' ' HB ' ' A' ' 85' ' ' THR . 71.3 m-85 -103.78 160.19 14.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.195 -177.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -93.61 -41.95 9.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.482 0.658 . . . . 0.0 109.644 174.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -151.82 152.19 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.397 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.519 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 51.0 ttm -152.43 118.31 5.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.79 0.328 . . . . 0.0 110.542 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -116.33 109.13 16.96 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.526 HG12 ' HG3' ' A' ' 110' ' ' GLN . 28.4 mt -93.95 103.7 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 110.494 -176.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.475 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 40.9 t -100.07 114.97 40.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.554 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 48.1 m0 -92.75 100.5 12.98 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.664 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.5 tt0 -94.98 109.69 21.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.037 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -92.54 111.2 22.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.216 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -119.41 109.16 15.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.764 0.316 . . . . 0.0 110.63 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.72 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 37.0 tt0 -67.61 128.31 36.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.066 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.5 m -129.2 165.42 21.37 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.1 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.44 -30.69 30.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -96.36 2.67 52.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.8 0.333 . . . . 0.0 111.553 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.87 -170.21 21.76 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.398 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.0 m -81.87 111.04 17.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.857 0.36 . . . . 0.0 110.627 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.4 t -86.84 110.82 20.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 33.7 ttp -100.67 118.2 36.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.279 0.562 . . . . 0.0 109.977 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.902 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 94.5 mtt180 -95.62 109.73 21.94 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.156 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.65 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 4.8 m95 -84.2 79.13 9.64 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.885 174.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.475 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 9.2 m -83.13 90.05 7.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.997 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.526 ' HG3' HG12 ' A' ' 93' ' ' ILE . 34.1 tt0 -91.04 99.11 12.2 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -93.38 98.85 11.49 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.659 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -120.38 159.95 24.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.112 0.482 . . . . 0.0 110.885 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.96 123.77 28.04 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.738 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 49.9 mtp -98.01 144.93 27.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.978 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.458 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 44.5 mmtm -145.81 -47.01 0.02 OUTLIER Pre-proline 0 C--N 1.318 -0.764 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.211 -172.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.458 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 47.1 Cg_exo -43.05 158.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.426 1.418 . . . . 0.0 111.899 166.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.63 32.42 0.2 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.612 -168.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 116' ' ' PRO . . . -57.88 143.93 75.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.641 175.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 12.3 Cg_exo -71.49 6.62 1.83 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.18 2.587 . . . . 0.0 113.218 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 124' ' ' TRP . 24.1 m -117.97 135.77 57.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.6 74.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.254 -173.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 62.39 -77.1 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.903 0.752 . . . . 0.0 112.047 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.447 ' O ' ' HB ' ' A' ' 126' ' ' THR . . . -64.13 -20.08 65.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -170.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.402 ' HB3' ' HB ' ' A' ' 120' ' ' VAL . 31.9 t-105 -61.84 -51.34 68.62 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.526 0.679 . . . . 0.0 109.737 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 66.6 mtp -70.62 -27.19 63.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.08 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.447 ' HB ' ' O ' ' A' ' 123' ' ' ALA . 52.8 m -52.34 -46.04 65.9 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 173.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.13 -41.82 81.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.515 ' HA ' ' HD3' ' A' ' 131' ' ' ARG . 65.6 t30 -68.89 -33.33 73.6 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.095 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 73.4 mt -65.48 -40.59 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.401 176.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.559 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 60.3 t30 -56.81 -40.71 76.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.268 0.556 . . . . 0.0 109.841 175.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.515 ' HD3' ' HA ' ' A' ' 128' ' ' ASN . 41.8 mtp85 -61.45 -56.85 15.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.292 177.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.0 -48.01 80.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.972 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.3 m -62.31 -46.45 88.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.186 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 134' ' ' ARG . 12.5 ttp180 -57.84 -40.61 80.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.396 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.1 m -68.14 -51.6 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -65.46 -46.7 78.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.356 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.432 ' SD ' HD12 ' A' ' 140' ' ' ILE . 76.6 mmm -70.99 -25.43 62.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.28 -175.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.55 -43.96 75.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.79 -42.86 98.39 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.945 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.541 HG12 ' HG ' ' A' ' 31' ' ' LEU . 80.6 mt -65.86 -47.35 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.792 176.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.508 ' HG3' HG12 ' A' ' 11' ' ' ILE . 59.5 ttp85 -52.93 -45.39 67.62 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.184 0.302 . . . . 0.0 110.989 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -51.77 66.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.151 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 143' ' ' ARG . 13.6 ttm180 -68.92 -38.56 79.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 16.6 mm -60.22 -47.53 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.041 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -62.97 -40.55 98.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 0.0 110.071 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -64.8 -48.1 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.909 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.99 98.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.263 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.38 69.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.648 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -76.0 -45.57 15.78 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.073 175.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.9 -52.25 38.52 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.942 0.097 . . . . 0.0 110.902 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 68.35 -68.34 0.17 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -134.31 150.77 50.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.935 0.398 . . . . 0.0 111.195 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 15.6 p -118.8 -173.42 2.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.673 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -109.21 146.65 33.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.58 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 54.5 p -94.07 147.69 22.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.004 0.43 . . . . 0.0 110.885 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 33.5 t -96.31 102.78 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.603 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 20.2 tp -85.77 111.84 20.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.736 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.22 -8.72 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.716 -174.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.4 -53.6 55.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.079 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 95.6 mt 61.21 15.45 6.38 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.869 173.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -61.31 -46.81 88.77 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -88.79 104.66 17.12 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.551 172.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -79.23 -15.08 58.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.352 -168.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -79.03 0.78 26.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.931 0.396 . . . . 0.0 111.317 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -82.38 -18.66 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 170.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -110.49 137.94 47.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.408 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 68.7 m80 . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.3 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tmm? . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.894 0.378 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 112' ' ' PHE . . . -138.78 105.13 5.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 175.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.71 151.69 16.94 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.357 -176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -109.49 90.57 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.705 HG22 HG23 ' A' ' 126' ' ' THR . 27.1 m -81.29 116.51 21.19 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.777 -177.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -101.82 129.12 47.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.086 0.47 . . . . 0.0 110.819 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -123.28 97.05 5.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.807 170.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.854 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 40.7 mt-10 -91.51 113.24 25.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -178.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.4 tt -120.62 125.95 74.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.185 0.517 . . . . 0.0 110.341 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.9 m -85.48 117.98 24.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.757 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.408 HG12 ' HG3' ' A' ' 141' ' ' ARG . 44.7 mt -102.69 131.69 50.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.22 18.65 2.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.036 0.446 . . . . 0.0 111.242 -174.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.85 146.0 31.7 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.881 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.9 147.08 94.11 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.92 2.414 . . . . 0.0 112.197 177.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.468 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 84.8 mtp -64.63 -25.77 68.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.558 -174.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -51.37 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.408 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.512 ' HG ' ' HA ' ' A' ' 148' ' ' ALA . 2.8 tm? -67.35 -46.19 74.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.764 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -57.28 -45.65 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.534 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -66.56 -47.37 73.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.915 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -70.78 -27.58 64.02 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.229 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 tpt -75.28 -36.12 61.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.99 0.424 . . . . 0.0 110.627 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.5 p -82.49 -28.69 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -78.02 -28.69 49.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.368 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.518 ' OD2' ' HG3' ' A' ' 27' ' ' LYS . 15.7 t70 -84.88 84.13 7.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.531 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 17.0 pt -71.97 -8.16 10.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.258 -170.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.88 -6.46 54.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.045 0.45 . . . . 0.0 110.647 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HG3' ' OD2' ' A' ' 24' ' ' ASP . 63.9 mttp -96.64 -9.62 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.545 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 40.0 m0 -57.82 -45.92 99.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.4 Cg_endo -59.87 -10.03 11.17 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.112 1.875 . . . . 0.0 113.427 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.07 -8.33 41.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.35 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.31 -36.53 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.691 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.81 132.66 43.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.948 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -83.66 -25.31 30.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.911 -175.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.43 -30.27 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -103.37 118.4 36.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.743 0.306 . . . . 0.0 110.832 -173.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.78 -28.2 50.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.265 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 t -153.98 149.01 26.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.486 177.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.528 HG13 ' HB ' ' A' ' 25' ' ' ILE . 94.8 t -124.75 99.87 6.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -100.12 117.68 34.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.499 -171.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.511 HG22 HD11 ' A' ' 25' ' ' ILE . 23.7 t -68.07 115.8 6.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.676 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.0 tp -79.43 -40.37 30.12 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.62 156.05 27.44 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.858 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -123.13 106.08 10.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.513 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 20.3 t70 -89.11 161.52 16.47 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 171.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.66 -42.9 17.12 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -127.42 7.69 6.43 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.516 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.752 ' HG2' HG22 ' A' ' 70' ' ' VAL . 59.8 mttp -132.95 110.47 10.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 110.966 -176.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.454 HG12 HH21 ' A' ' 69' ' ' ARG . 7.4 p -102.18 119.78 50.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.478 0.656 . . . . 0.0 110.54 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.4 m -100.3 120.28 39.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.007 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.414 ' HB3' HD13 ' A' ' 25' ' ' ILE . 33.1 p90 -126.07 157.32 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.296 0.57 . . . . 0.0 111.758 -177.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.609 ' HG2' ' HB2' ' A' ' 64' ' ' SER . 61.7 ttt180 -112.04 113.4 25.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.174 177.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.73 ' O ' ' HA ' ' A' ' 64' ' ' SER . 96.3 mt -81.24 104.9 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.5 m -101.51 128.61 47.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.42 -174.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 38.8 mtt -108.18 -171.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.513 . . . . 0.0 110.96 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -77.77 121.34 84.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.652 176.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.527 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 74.4 Cg_exo -50.52 141.22 34.04 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.032 2.488 . . . . 0.0 112.763 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -89.54 -173.34 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.044 0.449 . . . . 0.0 111.544 -173.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.78 72.04 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.346 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -73.98 -18.42 60.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 110.621 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.96 16.76 34.63 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.807 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 37.3 mtmm -87.61 142.36 27.9 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.823 0.312 . . . . 0.0 110.484 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.18 101.89 13.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 175.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -70.1 93.08 0.78 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.297 0.57 . . . . 0.0 110.099 -173.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.73 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 9.1 p -140.58 114.5 9.0 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.605 -175.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.3 p90 -113.08 153.41 28.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.216 0.532 . . . . 0.0 111.2 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.07 129.79 43.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.847 -176.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.1 m -134.94 133.42 39.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.149 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -102.05 128.53 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.803 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.454 HH21 HG12 ' A' ' 48' ' ' VAL . 58.0 ttp85 -122.03 120.29 33.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.962 0.41 . . . . 0.0 111.371 -174.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.752 HG22 ' HG2' ' A' ' 47' ' ' LYS . 29.7 t -104.74 127.1 59.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.566 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.79 104.85 14.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.715 0.293 . . . . 0.0 110.833 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -97.29 108.57 45.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.995 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.43 -15.4 19.83 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.957 2.438 . . . . 0.0 112.938 -176.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.5 t -77.7 -50.35 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.359 0.599 . . . . 0.0 109.959 -177.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.4 p -86.32 -6.77 58.88 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.859 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? 58.99 29.81 19.46 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.035 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.8 m -115.0 115.63 27.17 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.14 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.561 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 53.3 t -92.91 113.8 28.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.23 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -106.72 113.76 27.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.329 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -119.49 117.29 28.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.715 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -99.93 128.13 46.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.146 0.498 . . . . 0.0 110.246 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 -93.77 100.46 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.851 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.6 -45.44 74.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.239 0.543 . . . . 0.0 110.161 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -93.04 104.9 17.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.059 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.624 HG23 ' HB2' ' A' ' 88' ' ' PHE . 11.5 m -129.96 148.55 51.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.443 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.5 -102.52 0.87 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.256 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.51 -6.23 17.97 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.024 2.482 . . . . 0.0 113.644 -174.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.624 ' HB2' HG23 ' A' ' 85' ' ' THR . 72.4 m-85 -98.27 160.32 14.37 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -85.61 -46.11 11.1 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -154.99 144.91 21.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.675 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 85.2 mtp -132.72 123.68 26.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 110.701 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.74 ' HB3' ' HB3' ' A' ' 111' ' ' ASP . 40.6 t30 -108.79 115.73 30.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.716 178.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.4 ' HB ' ' HB1' ' A' ' 80' ' ' ALA . 43.7 mt -103.6 112.13 35.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.87 0.367 . . . . 0.0 110.667 -175.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 77.1 t -115.44 118.93 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.561 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 47.1 m0 -107.22 107.67 18.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 43.5 mt-10 -105.96 121.09 43.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.883 0.373 . . . . 0.0 110.923 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -100.43 116.96 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.515 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.64 130.49 54.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.926 0.393 . . . . 0.0 111.23 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.468 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 43.2 mt-10 -73.01 115.55 12.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.492 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.8 m -123.69 156.75 35.35 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.17 -7.59 53.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.922 0.391 . . . . 0.0 111.864 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.4 -4.9 14.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.258 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.7 -169.39 29.88 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.493 -0.861 . . . . 0.0 112.56 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.2 m -97.07 112.99 24.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.5 t -89.68 112.84 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.408 ' HE3' ' HE2' ' A' ' 137' ' ' MET . 44.1 ttp -97.43 120.43 37.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.208 0.528 . . . . 0.0 110.567 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.854 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 74.2 mtt180 -93.05 104.97 17.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.108 178.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -85.07 87.44 7.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.733 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 5' ' ' THR . 26.4 m -97.37 105.34 17.47 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.614 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -102.11 109.6 21.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.267 0.556 . . . . 0.0 110.286 177.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.74 ' HB3' ' HB3' ' A' ' 92' ' ' ASN . 11.6 t70 -89.23 112.82 23.95 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.04 177.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.573 ' HD2' ' HG3' ' A' ' 114' ' ' MET . 45.7 p90 -113.61 129.18 56.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.114 0.483 . . . . 0.0 111.321 -174.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -111.22 108.48 18.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.435 173.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.573 ' HG3' ' HD2' ' A' ' 112' ' ' PHE . 64.1 mtp -106.46 159.58 16.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.162 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.56 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 86.8 tttt -169.31 -57.79 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.431 0 CA-C-O 119.049 -0.5 . . . . 0.0 112.216 -175.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 67.0 Cg_exo -39.29 -76.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 123.33 2.687 . . . . 0.0 115.084 -170.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -153.12 68.55 0.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.198 0.523 . . . . 0.0 109.606 -174.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -107.01 108.37 61.91 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.817 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.09 -5.88 15.43 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.7 2.266 . . . . 0.0 111.306 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.44 HG13 ' HD1' ' A' ' 124' ' ' TRP . 27.3 m -87.46 139.84 16.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.259 177.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.53 160.35 19.0 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.75 -35.94 57.06 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.33 93.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.628 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . 0.44 ' HD1' HG13 ' A' ' 120' ' ' VAL . 43.0 t-105 -74.27 -35.33 63.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.987 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.531 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 84.1 mmm -65.47 -54.37 29.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.629 176.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.705 HG23 HG22 ' A' ' 5' ' ' THR . 88.6 m -57.15 -37.26 71.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.117 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.27 -53.94 45.1 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.809 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -65.91 -43.19 88.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.181 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.542 ' HB ' HG21 ' A' ' 5' ' ' THR . 75.8 mt -59.78 -52.09 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.638 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.66 -38.34 84.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.026 0.441 . . . . 0.0 110.722 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -66.5 -54.54 22.75 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.342 0.591 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -68.91 -44.38 73.25 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.186 -176.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.8 m -58.97 -39.95 83.29 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.128 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.27 -49.02 79.26 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.145 176.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.2 m -66.25 -44.77 82.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.307 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -67.45 -43.89 79.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.952 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.586 ' SD ' HD13 ' A' ' 140' ' ' ILE . 92.6 mmm -78.98 -13.57 59.71 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.038 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.86 -44.51 76.95 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.522 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 63.0 tp -55.7 -48.83 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.786 174.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.586 HD13 ' SD ' ' A' ' 137' ' ' MET . 55.2 mt -68.18 -37.56 78.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.334 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.408 ' HG3' HG12 ' A' ' 11' ' ' ILE . 66.3 ttt180 -53.59 -51.93 61.42 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.699 0.285 . . . . 0.0 110.892 176.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.37 -22.81 64.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.404 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 12.2 mmt180 -72.65 -43.13 63.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 140' ' ' ILE . 40.9 mm -60.98 -53.09 53.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.524 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -66.8 -24.86 66.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -70.47 -45.76 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 174.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.39 76.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.669 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.512 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -66.01 -38.11 87.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -72.74 -27.25 69.5 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.567 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -75.61 -46.55 31.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.359 0.6 . . . . 0.0 109.627 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -111.7 91.02 3.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.482 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -102.43 114.52 28.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 23.6 m -68.65 92.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.218 0.532 . . . . 0.0 111.305 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -86.21 -19.88 29.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.331 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 14.3 p -79.29 94.14 5.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.918 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.67 143.28 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.178 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 85.0 mt -110.4 -44.56 3.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -89.38 83.08 6.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.12 0.486 . . . . 0.0 111.086 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.94 99.25 12.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 174.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 95.4 mt -126.54 163.08 24.19 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.516 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.87 -33.55 70.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.433 0.635 . . . . 0.0 109.332 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -104.14 101.17 10.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.443 -0.799 . . . . 0.0 108.931 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -70.75 -34.95 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 0.0 110.837 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -112.66 120.3 41.07 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -84.0 46.88 1.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.168 -170.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -132.64 8.98 4.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.598 0.713 . . . . 0.0 109.36 172.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 55.0 m170 . . . . . 0 C--O 1.244 0.786 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.093 176.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptp . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.69 129.76 44.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.833 0.349 . . . . 0.0 110.139 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.49 106.53 3.26 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.371 -176.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -106.52 90.35 3.31 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.585 ' HG1' ' HE1' ' A' ' 112' ' ' PHE . 4.6 m -104.49 104.26 14.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.837 0.351 . . . . 0.0 110.962 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 33.1 t70 -106.46 102.61 11.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.107 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -108.13 111.18 23.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.226 0.536 . . . . 0.0 111.058 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.684 ' HG2' ' HD2' ' A' ' 107' ' ' ARG . 15.9 mt-10 -101.03 127.02 47.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.706 -175.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.406 HG23 ' HB3' ' A' ' 137' ' ' MET . 12.5 tt -131.28 125.84 57.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.414 0.626 . . . . 0.0 110.752 174.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 6.0 m -82.25 121.59 26.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.688 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.478 HG21 ' HG3' ' A' ' 141' ' ' ARG . 56.8 mt -104.08 127.4 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.416 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.53 70.28 10.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.232 0.539 . . . . 0.0 110.543 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.89 152.92 24.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.228 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.482 ' O ' HG22 ' A' ' 18' ' ' VAL . 31.2 Cg_endo -64.19 141.24 75.06 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.819 2.346 . . . . 0.0 112.416 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 86.5 mtp -59.76 -26.48 65.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.139 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -46.29 -64.4 0.76 Allowed 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.896 0.747 . . . . 0.0 111.338 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' HA ' HG23 ' A' ' 20' ' ' THR . 29.9 tp -76.86 -34.76 57.8 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.863 -174.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 14' ' ' PRO . 66.2 t -54.95 -55.47 15.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.742 0.306 . . . . 0.0 110.615 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.3 t-105 -64.66 -47.99 76.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.001 -176.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.529 HG23 ' HA ' ' A' ' 17' ' ' LEU . 4.0 t -70.3 -24.48 63.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.864 -172.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.7 ttm -87.68 -41.57 13.27 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.275 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.6 p -67.48 -29.23 68.62 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.307 0.575 . . . . 0.0 110.62 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -78.96 -22.63 45.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.614 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.43 89.8 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.552 0.691 . . . . 0.0 109.457 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.547 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 24.7 pt -73.24 -16.08 17.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.303 -172.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.55 -17.78 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.61 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -114.95 13.86 17.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.039 0.447 . . . . 0.0 110.901 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.547 ' CZ2' HG21 ' A' ' 25' ' ' ILE . 22.4 m0 -57.57 -48.1 97.83 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 33.7 Cg_endo -64.29 -1.07 3.34 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.192 1.928 . . . . 0.0 113.303 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -92.98 -24.25 23.18 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.668 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.28 -36.08 5.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.033 0.444 . . . . 0.0 110.632 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.628 ' HE1' ' HB3' ' A' ' 136' ' ' GLN . 3.8 t80 -106.9 130.07 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.162 -175.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 p -92.08 -1.21 57.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -170.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -90.34 -29.02 18.34 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -172.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -104.24 137.51 42.05 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.861 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.2 -44.76 11.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.379 -178.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -141.4 132.1 25.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.756 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.523 HG11 ' HB ' ' A' ' 25' ' ' ILE . 90.5 t -112.29 107.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 173.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -116.1 133.34 56.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.95 0.405 . . . . 0.0 111.695 -170.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG21 HD12 ' A' ' 25' ' ' ILE . 21.3 t -84.34 115.23 26.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 51' ' ' ARG . 77.7 mt -89.65 -38.05 14.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.002 0.429 . . . . 0.0 110.429 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.22 165.23 38.46 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -142.38 170.87 14.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 117.758 0.779 . . . . 0.0 110.718 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.779 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 15.0 m-20 -130.64 179.21 6.08 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 170.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.25 -34.58 68.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.754 0.311 . . . . 0.0 111.133 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -124.46 11.84 8.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.199 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.779 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -125.25 150.64 46.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.779 0.323 . . . . 0.0 111.269 -174.106 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.5 p -132.88 112.56 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.598 167.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.502 HG21 ' HG2' ' A' ' 68' ' ' GLU . 21.6 m -98.0 105.3 17.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.824 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -121.74 160.98 23.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.094 0.473 . . . . 0.0 111.39 -174.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.513 ' HB2' HD13 ' A' ' 41' ' ' LEU . 47.3 ttp180 -106.88 121.28 44.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.563 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.502 HD22 ' HZ3' ' A' ' 28' ' ' TRP . 27.4 mt -84.69 96.83 9.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.996 176.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.9 m -87.35 96.5 10.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.433 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.5 ttt -81.82 164.31 21.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.674 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -53.1 128.71 48.69 Favored Pre-proline 0 N--CA 1.463 0.205 0 CA-C-O 120.931 0.396 . . . . 0.0 111.215 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.801 ' HB3' HG21 ' A' ' 62' ' ' VAL . 36.2 Cg_endo -65.43 134.24 37.86 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.989 2.459 . . . . 0.0 112.746 -177.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.17 165.67 23.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.578 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.39 -24.21 67.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.961 0.41 . . . . 0.0 110.72 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.02 -24.04 65.87 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.113 173.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.88 63.23 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -172.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -75.35 108.83 8.4 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.952 0.406 . . . . 0.0 110.164 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.801 HG21 ' HB3' ' A' ' 56' ' ' PRO . 15.4 t -90.75 110.62 22.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -74.55 96.26 2.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.308 0.575 . . . . 0.0 110.471 -174.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 6.6 m -119.51 111.73 18.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.703 -177.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.469 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 48.0 p90 -124.76 149.84 46.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.5 t -89.97 132.7 33.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.763 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -138.84 142.21 38.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.502 ' HG2' HG21 ' A' ' 49' ' ' THR . 42.3 mt-10 -107.84 131.7 54.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.805 0.336 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.491 ' HD2' HG11 ' A' ' 78' ' ' VAL . 47.9 ttp180 -121.34 136.94 54.9 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.455 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 1.9 m -110.66 137.63 42.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.421 174.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.78 96.49 5.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.959 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.26 107.92 49.99 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.402 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.5 -21.33 46.58 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.889 2.393 . . . . 0.0 112.387 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.06 -55.22 20.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.7 p -89.52 -3.33 58.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.174 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 76' ' ' ARG . 64.6 mtt85 59.05 33.44 22.95 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.428 0.632 . . . . 0.0 110.043 -176.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.461 HG22 HG11 ' A' ' 94' ' ' VAL . 98.3 m -113.65 115.39 27.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.963 -177.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.491 HG11 ' HD2' ' A' ' 69' ' ' ARG . 23.7 t -111.16 94.21 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.284 175.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -108.26 138.39 44.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.025 0.44 . . . . 0.0 111.42 -173.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . . . -114.7 121.56 43.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.289 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -95.04 117.12 29.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.553 0.692 . . . . 0.0 110.31 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.607 ' HB3' ' HB2' ' A' ' 91' ' ' MET . 75.3 ttt180 -90.67 95.88 10.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.576 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.56 -46.22 49.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.55 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.469 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 32.4 mt-10 -86.66 102.75 14.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.738 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.701 HG23 ' HB2' ' A' ' 88' ' ' PHE . 4.0 m -141.08 139.08 33.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 178.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.36 -72.9 1.24 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.986 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 88' ' ' PHE . 58.0 Cg_endo -73.14 -4.13 14.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.636 2.224 . . . . 0.0 113.62 -176.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.701 ' HB2' HG23 ' A' ' 85' ' ' THR . 73.3 m-85 -120.55 155.02 34.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -84.4 -47.38 10.73 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 91.6 t80 -149.73 137.56 20.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.922 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.607 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 80.2 mtp -129.47 115.51 17.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.726 0.298 . . . . 0.0 110.628 177.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.481 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 30.6 t30 -110.09 106.35 15.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.013 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.506 HG21 ' HG2' ' A' ' 110' ' ' GLN . 53.5 mt -98.46 101.8 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.003 0.43 . . . . 0.0 110.295 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 85.0 t -93.75 116.81 35.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.198 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -95.03 94.65 8.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -97.26 130.55 44.45 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -103.71 118.3 36.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.052 0.453 . . . . 0.0 110.376 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' A' ' 105' ' ' VAL . . . -106.14 147.84 28.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.362 -176.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -77.99 135.84 37.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.457 ' HB ' ' O ' ' A' ' 103' ' ' GLY . 10.5 m -146.68 156.28 43.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 173.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.32 -11.54 57.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.347 -175.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -115.08 10.12 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.431 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.457 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 150.27 -169.37 30.26 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.001 -1.095 . . . . 0.0 112.834 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 m -107.71 120.04 41.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.507 ' HB ' ' HB1' ' A' ' 98' ' ' ALA . 70.0 t -86.09 116.2 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.965 0.412 . . . . 0.0 110.427 179.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 45.8 ttp -98.43 115.41 28.44 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.684 ' HD2' ' HG2' ' A' ' 8' ' ' GLU . 25.4 mtm180 -108.68 112.75 25.22 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.282 -173.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -89.46 89.91 8.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.009 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.573 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 4.0 m -87.99 92.85 9.29 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.644 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.506 ' HG2' HG21 ' A' ' 93' ' ' ILE . 54.5 mt-30 -90.1 98.22 11.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -98.53 104.31 16.33 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.003 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.585 ' HE1' ' HG1' ' A' ' 5' ' ' THR . 52.1 p90 -127.27 148.05 50.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.517 0.675 . . . . 0.0 111.826 -173.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.92 127.05 53.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.991 177.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.425 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 68.4 mtp -109.38 141.17 42.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.097 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 14.0 mmmm -150.86 -48.87 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.53 -173.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 2.3 Cg_endo -43.89 164.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 122.86 2.373 . . . . 0.0 113.061 168.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -84.07 35.7 0.54 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.741 0.781 . . . . 0.0 110.775 -170.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.84 137.63 83.14 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.23 177.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.26 -43.23 36.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.107 2.538 . . . . 0.0 113.006 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.0 m -87.36 141.55 14.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.148 0.499 . . . . 0.0 110.784 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -89.27 175.8 7.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.831 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.46 -30.88 71.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.086 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.16 97.23 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.812 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -62.05 -42.19 98.92 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.198 0.523 . . . . 0.0 110.18 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.598 ' HE3' ' HZ ' ' A' ' 88' ' ' PHE . 86.8 mmm -65.71 -50.34 65.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.35 -177.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.473 HG22 HG23 ' A' ' 5' ' ' THR . 93.8 m -54.34 -41.68 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.73 -45.73 77.75 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.694 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -65.62 -39.84 91.91 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 125' ' ' MET . 85.2 mt -63.73 -39.57 85.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.5 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.366 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -58.68 -45.85 88.52 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.186 0.517 . . . . 0.0 110.57 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -67.37 -45.87 75.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.37 0.605 . . . . 0.0 110.554 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.14 -44.81 87.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.372 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 137' ' ' MET . 55.0 p -62.47 -52.68 62.54 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.725 -178.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -49.66 -44.41 47.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.666 0.269 . . . . 0.0 111.264 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 21.8 m -68.39 -55.05 13.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.625 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.628 ' HB3' ' HE1' ' A' ' 32' ' ' PHE . 82.7 mm-40 -70.56 -43.55 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.474 -174.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.49 ' HB2' ' O ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -63.94 -33.58 76.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.635 -178.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.25 91.95 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.702 0.287 . . . . 0.0 110.273 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.75 -48.99 79.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.642 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.423 ' O ' HG12 ' A' ' 144' ' ' ILE . 74.8 mt -65.66 -45.13 93.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.98 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.478 ' HG3' HG21 ' A' ' 11' ' ' ILE . 52.2 ttt180 -53.93 -48.52 70.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.421 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -56.26 -38.55 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.975 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 143' ' ' ARG . 8.9 mmt180 -69.41 -42.33 75.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.126 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.469 HG22 HG23 ' A' ' 18' ' ' VAL . 47.1 mm -59.34 -49.37 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.06 0.457 . . . . 0.0 110.477 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.94 -41.59 97.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.792 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -60.4 -50.81 72.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.419 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.99 88.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.39 94.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.466 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -75.28 -19.22 79.74 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.404 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -88.78 -15.92 33.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.71 0.291 . . . . 0.0 110.848 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -74.79 -66.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 60.53 -88.13 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.801 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 24.5 m -137.73 143.19 41.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.095 -175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.05 125.44 24.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 5.1 p -65.02 151.15 46.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.726 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.1 p -120.62 143.99 30.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.09 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 90.7 mt -107.48 150.77 26.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.858 0.361 . . . . 0.0 110.775 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -89.49 -177.37 5.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.672 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.63 166.86 20.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.157 0.503 . . . . 0.0 111.615 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 24.2 tp -150.23 151.75 33.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.445 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.28 152.95 44.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.439 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -81.98 -46.88 13.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -105.79 111.12 23.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.842 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -74.78 82.4 2.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.376 0.608 . . . . 0.0 111.336 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -163.7 66.72 0.17 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.788 -1.097 . . . . 0.0 108.062 171.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -168.83 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.299 -173.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.382 179.907 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.119 0.485 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.63 118.27 18.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.709 176.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.26 138.01 15.53 Favored Glycine 0 N--CA 1.442 -0.931 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -120.23 87.76 2.81 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.49 ' HG1' ' HE1' ' A' ' 112' ' ' PHE . 19.2 m -83.72 99.02 9.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.969 0.414 . . . . 0.0 110.185 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -94.97 95.5 8.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.445 -177.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -97.04 98.47 10.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.99 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.809 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 47.4 mt-10 -89.23 117.32 28.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.74 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 tt -125.27 132.22 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.067 0.461 . . . . 0.0 110.089 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.6 m -93.68 136.81 33.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.795 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.7 mt -119.24 134.2 63.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.14 18.52 1.36 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.002 0.429 . . . . 0.0 112.0 -174.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.38 142.43 24.6 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.502 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' O ' HG22 ' A' ' 18' ' ' VAL . 31.9 Cg_exo -58.96 141.76 98.59 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.779 2.319 . . . . 0.0 111.918 177.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.425 ' HE2' ' HB3' ' A' ' 15' ' ' MET . 55.2 mtp -56.4 -28.53 59.61 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -173.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' HG3' ' H ' ' A' ' 17' ' ' LEU . 8.6 pt-20 -55.34 -61.32 2.41 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.988 0.18 . . . . 0.0 111.416 -178.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.601 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 35.8 tp -66.26 -35.8 81.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.651 0.205 . . . . 0.0 110.994 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 14' ' ' PRO . 96.8 t -53.02 -59.08 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 121.374 -0.13 . . . . 0.0 110.965 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -63.05 -40.25 97.16 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.601 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 11.5 m -52.29 -34.36 46.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.945 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.4 mmm -89.8 -45.08 9.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.519 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.1 p -77.57 -21.54 52.32 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -64.68 -42.73 95.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 110.599 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.565 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 66.0 t0 -77.99 109.33 11.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.059 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.558 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 26.4 pt -74.74 -12.98 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.558 -175.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.68 -6.8 59.57 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.15 0.5 . . . . 0.0 110.309 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.565 ' HD2' ' HB3' ' A' ' 24' ' ' ASP . 48.1 mttp -96.46 -11.82 25.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.554 176.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.565 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 43.2 m0 -57.58 -45.24 99.87 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -176.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 14.9 Cg_endo -57.75 -18.51 34.15 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.171 1.914 . . . . 0.0 113.082 178.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.15 -21.3 25.54 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.016 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 mp -95.46 -52.47 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.687 0.28 . . . . 0.0 110.934 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 34' ' ' GLU . 24.4 t80 -96.42 107.66 20.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.1 m -84.91 55.37 3.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.903 -172.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 33.3 tt0 -148.51 -11.99 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -102.17 126.37 49.12 Favored 'General case' 0 CA--C 1.52 -0.207 0 O-C-N 121.666 -0.646 . . . . 0.0 110.64 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.63 -44.87 18.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.704 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.55 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 49.7 m -130.75 131.57 44.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.304 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.0 t -111.98 99.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 170.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.596 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 34.5 mt-10 -94.25 110.91 22.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.915 -171.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 t -76.48 99.47 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.386 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -77.02 -43.35 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.33 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.81 -164.0 37.6 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.837 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.548 ' HB3' HG23 ' A' ' 48' ' ' VAL . 42.2 ptt85 -166.64 161.52 15.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.836 0.35 . . . . 0.0 110.636 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -130.98 90.9 2.96 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 61.01 -83.94 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.212 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -102.48 -25.18 13.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.028 0.442 . . . . 0.0 111.074 -175.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -96.06 112.17 23.98 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.423 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 43' ' ' ARG . 11.1 p -99.48 145.4 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.276 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.5 m -122.33 119.48 31.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 26.8 p90 -133.62 166.6 22.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.641 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.596 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 50.7 ttt180 -119.81 117.98 29.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.639 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 64' ' ' SER . 94.9 mt -93.06 117.88 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.218 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.55 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 91.4 m -121.24 128.41 52.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.566 -175.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 46.7 mtt -105.46 -169.77 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.773 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -58.95 157.18 21.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.911 171.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' A' ' 62' ' ' VAL . 56.4 Cg_endo -71.64 159.83 49.93 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.306 2.004 . . . . 0.0 112.234 175.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -83.23 -171.79 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.72 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.56 -34.77 58.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.029 0.442 . . . . 0.0 110.681 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.486 ' CG ' ' HZ3' ' A' ' 61' ' ' LYS . 10.0 p-10 -86.17 -21.2 27.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.39 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.27 -3.48 6.74 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.361 -0.923 . . . . 0.0 113.659 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HZ3' ' CG ' ' A' ' 59' ' ' ASP . 49.7 mttp -63.03 110.26 1.75 Allowed 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 117.561 0.68 . . . . 0.0 110.43 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.54 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 7.1 p -80.71 118.89 29.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 173.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -76.16 89.62 3.08 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.764 0.793 . . . . 0.0 110.932 -171.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 25.3 t -123.8 139.64 53.78 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.061 -1.427 . . . . 0.0 109.661 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.454 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 14.2 p90 -148.46 133.27 17.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.233 0.54 . . . . 0.0 111.636 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.3 t -73.21 126.4 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.277 175.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.525 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 15.0 m -128.07 143.15 51.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.217 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -113.58 128.06 56.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.266 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 48.0 ttp180 -117.45 118.14 31.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.824 0.345 . . . . 0.0 111.523 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.78 109.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.44 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.17 110.38 20.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.672 0.272 . . . . 0.0 111.248 -176.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -103.97 108.19 59.16 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.854 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.78 -35.89 34.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 123.036 2.49 . . . . 0.0 112.974 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 t -72.88 -40.66 60.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.159 0.504 . . . . 0.0 110.796 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.1 m -82.38 -12.75 57.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.168 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 59.97 33.08 21.39 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.56 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.491 HG23 ' HG2' ' A' ' 96' ' ' GLU . 29.8 m -129.76 124.77 34.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.586 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.53 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 47.8 t -116.96 124.53 73.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -109.06 112.9 25.33 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.04 104.34 11.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.985 0.421 . . . . 0.0 110.918 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -102.32 142.14 34.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.399 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -106.1 105.21 15.14 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.237 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.8 t -57.1 -43.81 82.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.36 0.6 . . . . 0.0 109.587 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 39.2 mt-10 -91.64 97.39 11.0 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 170.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.755 HG22 ' HB2' ' A' ' 88' ' ' PHE . 4.4 m -86.8 -25.96 24.34 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -174.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.426 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 97.6 -127.59 9.27 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.102 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.426 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 3.0 Cg_exo -76.78 -8.93 18.22 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.197 2.598 . . . . 0.0 112.263 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.755 ' HB2' HG22 ' A' ' 85' ' ' THR . 46.1 m-85 -83.91 172.33 12.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.765 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 113' ' ' ALA . 58.0 tt0 -92.54 -43.34 9.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.163 0.506 . . . . 0.0 109.988 178.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.602 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 39.0 t80 -159.43 148.32 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.58 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.429 ' HB3' HG21 ' A' ' 85' ' ' THR . 53.0 ttm -157.1 127.08 6.29 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.015 0.436 . . . . 0.0 111.5 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -132.92 117.56 17.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.489 175.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.533 HG12 ' HG3' ' A' ' 110' ' ' GLN . 19.6 mt -95.05 118.48 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.575 -175.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 43.1 t -103.63 118.89 51.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.747 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 40.5 m0 -99.17 101.64 13.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.491 ' HG2' HG23 ' A' ' 77' ' ' THR . 41.1 mt-10 -103.28 112.68 25.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.966 0.413 . . . . 0.0 110.47 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -90.45 118.68 30.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.435 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.412 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . . . -108.17 108.98 20.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.39 104.54 2.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.5 m -122.11 162.05 21.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.906 -175.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.48 -21.61 63.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.235 0.541 . . . . 0.0 110.331 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.65 -18.46 62.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.794 175.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.52 -169.0 20.86 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -174.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.6 m -81.16 103.22 10.81 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.412 ' HB ' ' HB2' ' A' ' 98' ' ' ALA . 58.9 t -84.65 101.48 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.538 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 36.5 ttp -92.98 115.47 28.15 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.26 0.552 . . . . 0.0 110.118 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.809 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 63.1 mtp85 -90.4 108.96 20.11 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.132 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -90.5 83.47 5.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.147 0.498 . . . . 0.0 109.835 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.526 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 10.2 m -85.8 94.74 9.21 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.82 179.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.533 ' HG3' HG12 ' A' ' 93' ' ' ILE . 31.4 tt0 -89.2 100.45 13.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.7 109.28 20.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.593 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.49 ' HE1' ' HG1' ' A' ' 5' ' ' THR . 50.6 p90 -126.51 145.72 50.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.16 0.505 . . . . 0.0 111.133 -175.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.602 ' HB2' ' HB3' ' A' ' 90' ' ' TYR . . . -113.19 133.32 55.11 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.484 ' HG2' ' HD2' ' A' ' 112' ' ' PHE . 96.7 mmm -127.95 104.94 8.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.859 0.361 . . . . 0.0 111.547 -176.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.575 ' NZ ' ' HB3' ' A' ' 115' ' ' LYS . 8.2 mtpm? -144.59 30.44 0.09 OUTLIER Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 175.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 115' ' ' LYS . 93.5 Cg_endo -83.91 17.0 1.78 Allowed 'Trans proline' 0 C--N 1.362 1.251 0 CA-C-N 121.145 1.445 . . . . 0.0 110.224 168.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 115' ' ' LYS . 1.4 m-20 63.17 37.43 11.34 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.254 -175.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.453 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -72.02 135.83 82.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.161 178.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 10.6 Cg_exo -72.93 48.66 1.44 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.674 2.916 . . . . 0.0 113.1 -177.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.9 m -115.65 139.99 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.762 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -80.21 11.69 3.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 69.42 -50.26 0.61 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.772 0.829 . . . . 0.0 110.442 -173.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.02 70.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -63.04 -37.06 85.67 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 121.156 0.503 . . . . 0.0 110.133 176.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 92.4 mmm -71.7 -46.99 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.978 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 41.9 m -56.4 -41.71 76.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 7.1 t70 -58.89 -55.22 37.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.718 176.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -44.75 88.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.625 -176.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.96 -40.6 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.679 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.57 -55.54 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.621 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 33.9 mtt180 -61.41 -42.71 99.16 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 -178.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -63.39 -52.32 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.735 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.6 m -63.58 -42.97 98.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -55.16 -47.5 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.326 . . . . 0.0 110.478 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 26.0 m -67.04 -54.8 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.193 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -61.08 -43.6 98.64 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.479 ' SD ' HD11 ' A' ' 140' ' ' ILE . 82.9 mmm -75.52 -15.75 60.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.988 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.5 62.71 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 172.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.45 -40.09 81.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.617 173.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.479 HD11 ' SD ' ' A' ' 137' ' ' MET . 42.8 mt -70.66 -44.78 76.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.53 176.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -51.44 -49.89 60.8 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 122.9 0.125 . . . . 0.0 110.822 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -53.3 -55.04 27.91 Favored 'General case' 0 CA--C 1.52 -0.21 0 O-C-N 123.418 0.449 . . . . 0.0 111.286 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 143' ' ' ARG . 50.0 mtm-85 -71.38 -31.21 67.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.068 -175.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.8 mm -68.13 -49.07 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.013 0.435 . . . . 0.0 110.133 175.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.55 -43.73 98.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.176 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -64.14 -43.86 93.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.16 93.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.011 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.86 84.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 177.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.74 83.94 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.233 -0.508 . . . . 0.0 112.469 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -70.57 -21.14 62.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 0.0 110.352 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 151' ' ' ARG . 15.0 ttm-85 -83.72 -53.03 5.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.194 178.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -104.55 71.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 110.185 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 31.8 m -79.53 106.14 11.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.053 0.454 . . . . 0.0 110.627 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -94.81 92.09 6.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.89 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 19.5 m -80.77 -15.59 56.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.24 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 18.9 m -130.62 175.68 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.216 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 94.8 mt -88.17 5.6 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.162 0.506 . . . . 0.0 111.106 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -104.61 139.51 39.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.31 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -69.57 133.47 47.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.901 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.6 mt -83.6 -23.93 31.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.33 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.419 ' CD ' ' HE2' ' A' ' 166' ' ' HIS . 45.9 mt-10 -80.65 120.2 24.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.734 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -84.59 5.19 28.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.223 0.535 . . . . 0.0 110.878 -175.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.78 101.14 6.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 168.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -77.15 15.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.948 -168.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -137.36 123.39 20.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.419 ' HE2' ' CD ' ' A' ' 161' ' ' GLU . 46.8 m170 -76.75 -34.1 58.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -176.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.713 -0.661 . . . . 0.0 109.518 174.877 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mmm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -114.82 110.6 19.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.881 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.76 166.2 13.55 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.089 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -126.12 101.3 6.71 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.872 0.368 . . . . 0.0 110.844 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.49 HG21 HG22 ' A' ' 126' ' ' THR . 28.2 m -86.99 109.52 19.44 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 175.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.81 96.07 5.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.164 0.507 . . . . 0.0 110.19 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.524 ' ND2' ' HB2' ' A' ' 108' ' ' TRP . 1.2 p-10 -107.19 103.28 12.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.566 0.698 . . . . 0.0 110.435 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.96 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 38.1 mt-10 -88.17 130.35 35.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.801 -177.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.489 HG23 ' HB3' ' A' ' 137' ' ' MET . 50.0 mm -122.02 112.78 36.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.183 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.415 ' HG1' HG23 ' A' ' 105' ' ' VAL . 20.4 m -80.77 106.65 12.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.644 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.432 HG12 ' HG2' ' A' ' 141' ' ' ARG . 58.7 mt -94.35 133.37 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.974 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.25 26.8 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.968 0.413 . . . . 0.0 111.821 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.91 143.4 36.67 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.855 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' O ' HG23 ' A' ' 18' ' ' VAL . 29.4 Cg_endo -63.89 152.48 80.56 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.638 ' HE2' ' HB3' ' A' ' 76' ' ' ARG . 75.0 mtp -59.92 -32.81 71.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.094 -173.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -63.23 -47.25 83.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.01 0.433 . . . . 0.0 110.63 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.778 HD22 ' HB3' ' A' ' 148' ' ' ALA . 9.9 mp -72.44 -34.09 67.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.552 -178.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.493 ' HA ' HD13 ' A' ' 144' ' ' ILE . 91.5 t -63.76 -47.47 90.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.051 174.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.446 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 15.6 t-105 -59.02 -54.43 47.19 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.803 -178.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.8 t -65.17 -26.87 68.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.63 0.234 . . . . 0.0 111.63 -175.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 75.4 mmm -82.99 -39.31 21.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 p -88.99 -7.24 56.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.845 0.355 . . . . 0.0 111.418 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.63 ' HA ' HH12 ' A' ' 69' ' ' ARG . 62.6 t30 -72.91 -28.8 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.545 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.678 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 11.6 m-20 -81.79 104.3 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.48 HD11 HG13 ' A' ' 38' ' ' VAL . 34.6 pt -70.04 -18.28 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.168 0.509 . . . . 0.0 110.899 -176.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.66 -5.17 38.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.645 177.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HD2' ' HB2' ' A' ' 24' ' ' ASP . 91.3 mttt -100.8 -11.79 19.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.108 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.528 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 45.3 m0 -59.87 -50.69 85.34 Favored Pre-proline 0 C--O 1.224 -0.278 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.864 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 16.0 Cg_endo -57.83 -17.12 28.48 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.251 1.967 . . . . 0.0 113.042 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.72 -36.9 21.42 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.966 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.434 HD23 HG23 ' A' ' 140' ' ' ILE . 9.3 mp -93.62 -20.65 19.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.625 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.454 ' CE1' HD13 ' A' ' 140' ' ' ILE . 4.4 m-85 -97.81 147.55 24.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.531 0.682 . . . . 0.0 112.332 -177.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.9 m -101.56 -28.82 12.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.779 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.24 -52.37 8.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.011 0.434 . . . . 0.0 111.293 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -82.97 108.32 16.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.652 -174.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.91 59.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.928 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.533 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 49.8 m -149.76 136.83 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.193 0.521 . . . . 0.0 110.83 178.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG13 HD11 ' A' ' 25' ' ' ILE . 90.2 t -128.68 102.11 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.977 178.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -120.28 156.04 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.474 -0.491 . . . . 0.0 112.219 -173.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -90.4 116.01 30.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.595 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.477 HD11 ' HD2' ' A' ' 51' ' ' ARG . 83.8 mt -81.04 -38.93 26.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.55 157.14 29.49 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -144.68 137.13 26.38 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 118.241 1.021 . . . . 0.0 110.923 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -115.67 51.2 0.95 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 61.23 -79.51 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.339 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -65.45 -37.74 87.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.043 0.449 . . . . 0.0 109.868 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -115.58 115.12 25.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.822 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.9 p -99.64 119.14 47.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.155 0.502 . . . . 0.0 110.151 175.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -86.31 96.51 9.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.882 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 69' ' ' ARG . 34.1 p90 -107.38 154.77 20.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.75 -174.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HD2' HD11 ' A' ' 41' ' ' LEU . 70.2 ttt180 -112.26 118.94 36.68 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.878 178.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.722 ' O ' ' HA ' ' A' ' 64' ' ' SER . 80.7 mt -84.57 111.48 19.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.027 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.533 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 25.5 m -101.2 114.76 29.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.97 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 44.9 mtt -96.19 -157.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.657 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -89.86 139.15 27.58 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.219 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.792 ' HG3' HG22 ' A' ' 62' ' ' VAL . 76.2 Cg_exo -51.55 125.38 16.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.22 2.613 . . . . 0.0 112.236 174.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -79.44 169.97 17.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.697 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -13.93 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.735 0.302 . . . . 0.0 111.442 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.63 -15.53 62.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.403 0.621 . . . . 0.0 110.003 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.28 27.15 31.38 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.257 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -130.81 138.72 50.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.792 HG22 ' HG3' ' A' ' 56' ' ' PRO . 21.7 t -82.8 123.64 38.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.881 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -72.96 94.24 1.83 Allowed 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.393 0.615 . . . . 0.0 109.773 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.722 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 5.8 p -133.28 103.6 6.06 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.171 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -111.35 162.11 15.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.072 0.463 . . . . 0.0 111.502 -175.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.8 t -96.18 130.32 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.837 -176.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 m -138.83 154.76 48.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.115 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -109.24 126.26 53.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.569 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.63 HH12 ' HA ' ' A' ' 23' ' ' ASN . 23.7 ttp180 -108.37 110.36 21.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.942 0.401 . . . . 0.0 110.493 177.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 t -97.85 106.27 18.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.722 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.03 105.44 17.58 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.158 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -110.85 112.18 56.09 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.944 0.402 . . . . 0.0 111.116 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -70.77 -21.35 28.92 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.164 2.576 . . . . 0.0 112.373 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.6 -54.19 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.773 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 m -74.6 -15.17 60.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.039 0.447 . . . . 0.0 110.084 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.638 ' HB3' ' HE2' ' A' ' 15' ' ' MET . 61.0 mtp180 62.12 43.73 8.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.073 -176.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 96' ' ' GLU . 92.7 m -150.03 139.63 21.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.698 -174.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 63.9 t -107.37 131.52 57.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.096 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -110.96 116.87 31.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.702 0.287 . . . . 0.0 110.751 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -111.93 95.15 5.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.054 0.455 . . . . 0.0 110.444 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -98.85 130.25 45.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.155 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -93.0 110.18 21.64 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.102 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.32 -46.45 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -84.39 109.33 17.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.946 174.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.9 p -95.02 -55.24 3.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.872 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.414 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 99.6 -114.01 4.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.009 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.414 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 7.4 Cg_exo -74.25 -6.77 18.89 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.025 2.483 . . . . 0.0 112.326 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -106.36 170.23 8.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.632 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -97.26 -40.31 8.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.077 0.465 . . . . 0.0 109.954 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -150.02 144.42 25.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.865 -177.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.3 ttm -153.11 110.58 3.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 110.532 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -117.33 108.83 16.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.471 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.484 HG23 ' HG2' ' A' ' 110' ' ' GLN . 35.6 mt -92.11 108.03 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.909 0.385 . . . . 0.0 110.274 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.7 t -93.94 111.73 25.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.496 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 20.9 m0 -86.24 83.32 7.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.632 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 33.1 tt0 -90.11 111.2 22.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.476 -174.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.414 ' HE2' HG21 ' A' ' 78' ' ' VAL . 92.8 m-85 -91.28 122.29 33.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.958 0.408 . . . . 0.0 110.772 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.539 ' HB2' ' HB ' ' A' ' 105' ' ' VAL . . . -105.9 113.88 27.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.463 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 41.6 tt0 -77.94 101.56 6.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.539 -177.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.8 m -114.31 158.45 21.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.483 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.75 -7.83 56.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.265 0.555 . . . . 0.0 110.581 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -91.24 -4.17 56.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.049 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.46 -179.69 16.57 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.686 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 56.4 m -81.45 106.87 13.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.539 ' HB ' ' HB2' ' A' ' 98' ' ' ALA . 58.9 t -80.18 97.5 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.421 ' HE2' ' HB3' ' A' ' 106' ' ' MET . 40.9 ttp -86.07 110.93 19.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.429 -177.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.96 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 91.2 mtt180 -90.07 112.59 24.08 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.095 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.524 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 5.3 m95 -92.05 84.92 5.37 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 170.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.1 m -88.12 98.27 11.45 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.695 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.484 ' HG2' HG23 ' A' ' 93' ' ' ILE . 75.5 mt-30 -88.95 104.78 17.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.124 0.487 . . . . 0.0 110.349 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -83.16 101.53 11.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.864 176.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -119.6 145.25 46.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.26 0.552 . . . . 0.0 111.088 -175.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -130.69 121.02 24.75 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.886 176.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 39.9 ttm -100.88 145.45 28.58 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.881 ' HA ' ' HE3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -131.58 -55.19 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.969 -175.024 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.467 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 9.3 Cg_endo -55.14 -18.37 17.52 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.094 1.863 . . . . 0.0 113.511 174.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 68.05 78.29 0.23 Allowed 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.363 0.601 . . . . 0.0 111.328 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.54 167.59 29.11 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.651 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -68.22 1.25 3.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.617 2.211 . . . . 0.0 112.929 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 28.0 m -109.09 121.03 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.23 0.538 . . . . 0.0 110.361 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.85 176.02 8.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.629 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.78 -47.92 64.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.624 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.23 84.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.543 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -65.88 -49.37 68.31 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.411 ' HE2' ' HB3' ' A' ' 125' ' ' MET . 68.1 mtp -59.68 -52.48 65.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.098 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.49 HG22 HG21 ' A' ' 5' ' ' THR . 95.2 m -56.71 -44.47 81.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.479 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.11 -44.0 81.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.916 0.389 . . . . 0.0 110.507 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.95 -46.71 77.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.801 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.441 HD11 ' OE1' ' A' ' 110' ' ' GLN . 96.2 mt -64.22 -40.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.988 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -57.2 -47.84 80.26 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.019 0.438 . . . . 0.0 110.339 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -58.19 -49.07 78.33 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.132 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -62.18 -48.11 81.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.976 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.7 t -64.99 -36.63 85.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.825 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 134' ' ' ARG . 30.2 ttt85 -56.29 -49.91 72.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.972 0.415 . . . . 0.0 110.661 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.2 m -71.78 -47.35 54.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -64.09 -46.06 85.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.823 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.489 ' HB3' HG23 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -78.34 -21.96 48.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.534 -175.734 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.86 98.08 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 143' ' ' ARG . 49.6 tp -57.46 -47.51 81.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.92 174.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.454 HD13 ' CE1' ' A' ' 32' ' ' PHE . 74.0 mt -56.65 -46.17 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.908 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.432 ' HG2' HG12 ' A' ' 11' ' ' ILE . 38.1 mtm105 -49.71 -63.13 1.2 Allowed 'General case' 0 CA--C 1.519 -0.232 0 O-C-N 123.382 0.426 . . . . 0.0 111.795 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.36 -32.88 74.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.838 -174.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 139' ' ' LEU . 17.0 mtp180 -72.33 -45.46 59.84 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.252 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 18' ' ' VAL . 14.3 tt -72.02 -27.38 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.078 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.2 -42.88 83.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.34 -46.53 79.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.887 175.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.68 83.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.422 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.778 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -75.03 -35.45 61.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.779 178.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -63.15 -47.1 91.14 Favored Glycine 0 C--N 1.331 0.285 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.437 ' OE1' ' HD3' ' A' ' 152' ' ' ARG . 90.4 mt-10 -64.15 -35.16 79.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.157 0.503 . . . . 0.0 109.681 173.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 62.22 47.59 5.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.816 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . 0.437 ' HD3' ' OE1' ' A' ' 150' ' ' GLU . 44.2 mmm-85 -60.31 100.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.371 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 5.7 m -86.99 -36.49 18.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.204 0.526 . . . . 0.0 109.86 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -75.99 101.5 5.26 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.743 175.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 56.1 m -75.85 83.5 2.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.926 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 4.7 p -108.65 107.97 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.559 0.695 . . . . 0.0 109.746 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 92.7 mt -79.89 -12.5 59.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.953 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -93.49 -7.67 43.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.001 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 53.17 84.99 0.05 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.77 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 40.0 tp -81.13 -11.89 59.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.772 0.796 . . . . 0.0 109.298 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.24 155.03 32.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.307 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -114.08 95.2 5.18 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 173.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -81.86 103.53 11.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.498 -175.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -80.49 116.38 20.5 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -73.41 15.73 0.23 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -166.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 62.41 37.23 13.78 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.778 0.323 . . . . 0.0 111.527 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.272 -0.871 . . . . 0.0 109.696 177.413 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.535 ' HG3' ' HG3' ' A' ' 115' ' ' LYS . 4.5 mpp? . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.734 0.302 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.31 110.83 4.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.318 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.15 163.22 12.6 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.02 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -125.87 132.85 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 110' ' ' GLN . 7.1 m -136.46 155.52 49.88 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -139.44 107.71 5.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.551 0.691 . . . . 0.0 110.229 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.844 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 15.9 m120 -97.52 91.61 5.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.813 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.475 ' HG2' ' CB ' ' A' ' 107' ' ' ARG . 9.0 mt-10 -95.21 125.09 39.61 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.08 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.823 HG13 ' HB3' ' A' ' 137' ' ' MET . 28.4 mm -121.18 122.15 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.29 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -78.57 103.85 8.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.195 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.538 HG12 ' HG3' ' A' ' 141' ' ' ARG . 40.1 mt -97.94 124.42 50.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 110.77 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.73 55.12 3.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.235 0.54 . . . . 0.0 110.67 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.49 148.07 54.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.895 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 148' ' ' ALA . 52.7 Cg_exo -56.07 135.89 72.15 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.146 2.564 . . . . 0.0 112.274 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.469 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 84.9 mtp -57.49 -40.87 79.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.05 -174.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.81 -42.61 97.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' HA ' HG21 ' A' ' 20' ' ' THR . 25.2 tp -72.77 -40.56 65.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.7 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -58.23 -42.38 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.243 0.545 . . . . 0.0 110.297 174.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -65.46 -48.28 73.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.94 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.498 HG21 ' HA ' ' A' ' 17' ' ' LEU . 14.3 t -70.97 -31.73 68.38 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.476 -176.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.2 mtp -76.06 -24.41 55.13 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.169 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 p -85.87 -20.29 29.3 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.451 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -79.42 -28.55 41.76 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 170.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.52 61.56 0.7 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.868 170.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.579 HG21 ' CZ2' ' A' ' 28' ' ' TRP . 12.1 pt -59.88 -24.15 28.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.039 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.3 -15.64 60.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.912 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -95.21 -1.22 52.12 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.385 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CZ2' HG21 ' A' ' 25' ' ' ILE . 43.4 m0 -58.0 -42.8 97.05 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.4 Cg_endo -61.67 -14.69 37.37 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.047 1.832 . . . . 0.0 112.766 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.02 -12.16 62.3 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.504 HD21 HG22 ' A' ' 140' ' ' ILE . 11.0 mp -96.81 -55.49 2.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.48 ' CE2' HD11 ' A' ' 139' ' ' LEU . 14.2 t80 -114.49 148.39 37.93 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 p -98.97 20.57 13.03 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -167.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -102.92 -30.26 10.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.958 0.408 . . . . 0.0 111.107 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -74.84 138.64 42.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.237 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.36 -76.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.044 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 m -130.06 109.44 10.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 0.0 110.983 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.651 HG23 ' HG ' ' A' ' 52' ' ' LEU . 43.4 t -88.26 106.31 16.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -93.86 112.05 23.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.054 0.454 . . . . 0.0 110.975 -173.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.43 HG21 HD13 ' A' ' 25' ' ' ILE . 46.7 t -77.45 112.83 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.729 176.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.488 HD12 HG22 ' A' ' 49' ' ' THR . 84.5 mt -85.75 -19.27 31.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.153 0.501 . . . . 0.0 110.297 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.36 164.79 10.44 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.445 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 36.6 ptt85 -122.91 109.45 14.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.264 0.554 . . . . 0.0 110.457 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -89.31 86.48 6.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.482 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.69 -85.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.526 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -102.39 -27.61 12.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.335 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.812 ' HG2' HG21 ' A' ' 70' ' ' VAL . 99.5 mttt -88.84 100.51 13.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.593 0.235 . . . . 0.0 111.015 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.531 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 7.0 p -88.69 114.13 26.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.456 0.646 . . . . 0.0 109.351 173.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.488 HG22 HD12 ' A' ' 41' ' ' LEU . 15.8 m -90.56 124.11 34.76 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.278 -176.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -133.05 135.89 45.63 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.482 0.658 . . . . 0.0 111.253 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 65' ' ' TRP . 41.1 ttt180 -105.27 103.5 13.05 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.638 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.651 ' HG ' HG23 ' A' ' 38' ' ' VAL . 5.0 tt -83.1 110.64 18.18 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.0 m -77.23 118.63 19.92 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.432 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 71.5 mtp -82.73 152.76 25.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.319 -175.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -60.64 145.32 87.86 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.905 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -44.2 123.03 4.03 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.495 2.797 . . . . 0.0 113.175 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.08 157.88 14.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.438 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.78 -30.05 63.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.202 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.82 -29.13 55.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.912 0.387 . . . . 0.0 110.818 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.63 -24.52 4.61 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.297 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.56 148.14 43.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 111.326 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.4 t -105.96 119.74 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -100.64 -175.25 2.85 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.783 0.801 . . . . 0.0 111.491 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.6 m -166.84 173.78 9.15 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.894 -1.503 . . . . 0.0 108.698 -176.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.537 ' CZ2' HD13 ' A' ' 52' ' ' LEU . 8.9 p90 -150.24 142.6 24.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.295 167.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.35 117.06 43.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.084 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 p -138.74 149.29 44.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.723 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -114.08 128.28 56.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.242 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.465 ' HB3' HG13 ' A' ' 48' ' ' VAL . 14.5 ttt180 -101.81 108.77 20.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.637 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.812 HG21 ' HG2' ' A' ' 47' ' ' LYS . 25.9 t -91.77 105.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.569 176.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -95.69 105.76 17.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.443 -176.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.9 99.89 18.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.388 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.08 -43.37 11.68 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 123.06 2.507 . . . . 0.0 112.645 -175.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.36 -39.82 85.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.124 0.488 . . . . 0.0 110.481 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 m -79.69 -12.8 59.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.239 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? 60.98 27.32 17.21 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 110.717 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.0 m -128.48 115.19 17.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.989 0.423 . . . . 0.0 111.164 -173.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 70.3 t -98.74 111.58 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 175.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -93.42 102.65 14.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.996 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.28 99.83 11.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.298 0.57 . . . . 0.0 109.746 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -92.53 116.46 29.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.594 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.559 ' HB3' ' HB2' ' A' ' 91' ' ' MET . 0.7 OUTLIER -83.72 98.72 9.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.665 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.08 -47.12 82.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.31 0.576 . . . . 0.0 110.268 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -88.26 97.96 11.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.631 177.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.434 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 5.5 p -91.27 -62.95 1.33 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.899 -176.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.99 -108.33 3.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.739 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.17 -13.92 37.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.909 2.406 . . . . 0.0 111.678 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.434 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 58.5 m-85 -97.67 158.23 15.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.491 178.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -91.19 -58.53 2.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.194 0.521 . . . . 0.0 109.886 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 68.1 t80 -143.71 126.73 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.769 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.559 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 95.4 mmm -112.89 104.0 11.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.512 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.737 ' HB3' ' HB2' ' A' ' 111' ' ' ASP . 11.7 t30 -100.03 96.76 7.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.558 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.5 mt -101.32 102.26 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.226 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.531 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 65.7 t -98.59 111.68 28.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.008 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.565 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 19.1 m0 -89.11 91.84 8.96 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 173.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -92.1 125.21 36.69 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -97.57 115.74 28.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.78 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.08 112.28 25.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.161 0.505 . . . . 0.0 111.017 -177.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 41.9 mt-10 -66.86 104.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.722 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 m -128.68 158.55 38.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.242 -174.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.52 -41.6 69.88 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -176.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.53 -21.27 60.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.331 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.81 -169.26 29.96 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.239 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 m -80.85 100.87 9.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.99 0.424 . . . . 0.0 110.008 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 60.1 t -82.3 100.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.031 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 52.6 ttp -93.21 115.17 27.79 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.475 ' CB ' ' HG2' ' A' ' 8' ' ' GLU . 31.4 ptt180 -114.56 129.07 56.63 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.781 0.8 . . . . 0.0 112.061 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.844 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 11.5 m0 -81.48 88.71 6.14 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.132 -1.395 . . . . 0.0 110.138 177.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.531 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 63.5 m -76.64 108.28 9.53 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.751 175.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.757 HE21 ' HB3' ' A' ' 108' ' ' TRP . 80.5 mm-40 -98.38 108.26 20.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.947 -175.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.737 ' HB2' ' HB3' ' A' ' 92' ' ' ASN . 32.1 m-20 -106.53 93.46 4.6 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 171.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.464 ' HZ ' ' HG1' ' A' ' 126' ' ' THR . 44.5 p90 -108.8 130.11 55.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.351 0.596 . . . . 0.0 111.611 -172.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -113.2 116.8 30.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.48 174.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.0 ptm -159.32 151.25 20.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.159 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.535 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 6.5 tmtt? -175.54 -54.66 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 O-C-N 123.309 0.381 . . . . 0.0 110.955 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 3.9 Cg_endo -45.87 111.72 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 122.976 2.451 . . . . 0.0 113.464 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.19 -16.75 0.5 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.114 174.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -86.73 120.38 71.77 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.751 0.31 . . . . 0.0 110.801 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -87.65 77.58 1.76 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.813 2.342 . . . . 0.0 111.862 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.31 149.68 33.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.643 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -108.88 24.34 13.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 71.32 -56.99 0.62 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.751 -174.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.45 -41.91 66.62 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.522 0.514 . . . . 0.0 111.201 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -52.0 -56.62 13.16 Favored 'General case' 0 C--O 1.228 -0.066 0 O-C-N 123.615 0.572 . . . . 0.0 110.745 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.443 ' O ' HG13 ' A' ' 129' ' ' ILE . 95.7 mmm -65.88 -42.09 90.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 -177.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.464 ' HG1' ' HZ ' ' A' ' 112' ' ' PHE . 62.1 m -54.15 -52.73 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.324 0.39 . . . . 0.0 111.483 -177.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.497 ' HA ' ' ND2' ' A' ' 130' ' ' ASN . 24.4 t70 -82.01 -26.66 33.65 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.008 -175.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -63.16 -42.96 99.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.573 HG21 ' HG3' ' A' ' 110' ' ' GLN . 74.4 mt -60.16 -41.12 85.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.193 175.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.505 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 95.4 m-20 -52.6 -54.38 33.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.802 0.334 . . . . 0.0 110.427 176.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -60.07 -50.05 75.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.479 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.91 -48.76 73.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.325 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.4 t -66.64 -42.24 87.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.247 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.505 ' NH1' ' HB3' ' A' ' 130' ' ' ASN . 47.6 mtm-85 -61.38 -40.58 94.86 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.473 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 58.4 m -59.47 -49.47 77.65 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 120.9 0.381 . . . . 0.0 110.327 177.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -60.31 -57.59 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.89 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.823 ' HB3' HG13 ' A' ' 9' ' ' ILE . 31.0 mmt -63.01 -37.33 86.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.513 -173.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.87 86.69 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.486 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.48 HD11 ' CE2' ' A' ' 32' ' ' PHE . 8.2 tt -67.48 -46.28 73.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.099 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.504 HG22 HD21 ' A' ' 31' ' ' LEU . 66.5 mt -65.74 -38.21 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.293 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.538 ' HG3' HG12 ' A' ' 11' ' ' ILE . 13.3 ttp180 -54.93 -50.35 69.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.223 175.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.94 -35.38 73.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.106 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -69.99 -43.62 71.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.607 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 31.2 mm -62.52 -52.42 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.753 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.83 -35.14 78.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -62.64 -49.56 74.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.086 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.36 92.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.916 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.48 ' HB3' ' HD2' ' A' ' 14' ' ' PRO . . . -69.63 -15.58 63.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -93.62 -41.13 4.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.432 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 152' ' ' ARG . 56.0 mt-10 -77.67 3.03 14.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.672 -0.264 . . . . 0.0 111.277 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -58.02 133.44 55.53 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 150' ' ' GLU . 74.0 mtt180 -120.65 154.28 35.72 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.592 -174.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 3.3 p -80.02 36.7 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.51 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -74.69 117.5 16.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.539 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 7.0 p -74.26 142.88 45.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.804 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 41.9 t -67.41 -28.96 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.93 -10.48 59.53 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.96 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . 71.46 148.24 0.08 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 124.234 0.959 . . . . 0.0 112.023 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -103.54 -50.46 3.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.956 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 63.5 tp -58.5 -72.13 0.1 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.137 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -91.75 -179.67 5.39 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 170.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -132.12 158.0 42.78 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.951 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -64.09 -28.58 69.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.905 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -113.5 128.58 56.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 170.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -71.23 -24.94 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.996 -173.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -126.23 132.86 51.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.94 0.4 . . . . 0.0 110.702 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 23.9 p80 . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.312 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 C--O 1.236 0.393 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.54 128.35 6.92 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.249 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -100.52 99.22 9.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.983 0.421 . . . . 0.0 110.464 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m -96.6 116.67 29.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.12 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -116.72 87.85 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.849 0.357 . . . . 0.0 110.309 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.554 ' OD1' ' HA ' ' A' ' 130' ' ' ASN . 2.1 m120 -98.85 115.54 29.06 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.475 0.655 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 22.5 mt-10 -113.16 140.24 48.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.087 -175.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.463 HD11 ' HD3' ' A' ' 141' ' ' ARG . 17.5 tt -143.56 139.86 26.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.846 0.355 . . . . 0.0 110.673 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 m -86.99 132.51 33.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.379 -175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.493 HG12 ' HG3' ' A' ' 141' ' ' ARG . 20.2 mt -124.23 141.09 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.49 21.74 5.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.929 0.395 . . . . 0.0 111.252 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -95.17 140.99 22.64 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 22.5 Cg_exo -64.48 148.16 90.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.954 2.436 . . . . 0.0 112.171 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 79.1 mmm -49.3 -41.84 39.5 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.053 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -54.03 -53.9 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.46 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.581 ' HA ' HG22 ' A' ' 20' ' ' THR . 6.1 tp -73.1 -37.18 66.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.431 -174.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.528 ' HA ' HD11 ' A' ' 144' ' ' ILE . 96.8 t -57.03 -48.0 82.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.003 0.43 . . . . 0.0 110.703 175.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -66.38 -53.43 36.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.624 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 17' ' ' LEU . 11.6 t -65.49 -34.28 77.91 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.5 tpp -69.28 -43.77 73.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.85 0.357 . . . . 0.0 110.703 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.8 p -74.39 -19.32 60.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.463 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -81.97 -23.43 36.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.818 0.342 . . . . 0.0 110.608 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -85.52 81.75 8.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.352 0.596 . . . . 0.0 109.4 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.625 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 29.8 pt -68.69 -14.5 18.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.893 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.9 -16.15 61.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.253 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -103.06 2.4 34.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.275 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.625 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 38.3 m0 -56.74 -43.38 99.34 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.67 -16.15 23.59 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.181 1.921 . . . . 0.0 113.277 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.29 -7.59 72.72 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.097 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.839 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 7.3 mp -118.91 -39.66 2.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.153 0.502 . . . . 0.0 110.214 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.82 112.35 24.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.273 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.7 m -81.59 -5.98 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.882 178.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' HG2' ' HE2' ' A' ' 54' ' ' MET . 32.3 tt0 -75.16 -21.95 58.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.881 -175.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -115.66 173.22 6.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.024 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.25 -33.28 3.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.871 0.367 . . . . 0.0 111.16 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.533 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 50.8 m -148.94 140.7 23.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.89 0.376 . . . . 0.0 111.08 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 28' ' ' TRP . 64.7 t -121.08 102.27 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.26 126.18 47.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.258 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.615 HG22 HD11 ' A' ' 25' ' ' ILE . 3.5 t -84.64 102.1 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.4 -44.01 68.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.296 0.569 . . . . 0.0 109.93 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.39 156.16 25.66 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.527 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -121.56 108.81 14.04 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.223 0.535 . . . . 0.0 110.461 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.494 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 37.4 t70 -92.94 58.95 3.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.338 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 59.78 -83.91 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.702 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -78.44 -36.16 45.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.536 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.862 ' HG2' HG22 ' A' ' 70' ' ' VAL . 77.2 mttt -89.49 111.2 22.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.453 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.538 HG13 ' HB3' ' A' ' 69' ' ' ARG . 7.6 p -98.66 105.82 17.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-O 121.661 0.743 . . . . 0.0 109.001 170.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.5 m -94.88 118.09 31.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.181 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.438 ' HB3' HD12 ' A' ' 25' ' ' ILE . 19.7 p90 -128.58 164.52 22.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.44 0.638 . . . . 0.0 111.891 -174.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -112.21 114.51 27.35 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.273 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.544 ' O ' ' HA ' ' A' ' 64' ' ' SER . 63.3 mt -84.77 104.49 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.982 0.42 . . . . 0.0 110.263 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.533 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 38.9 m -102.96 126.62 50.2 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.567 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.44 ' HE2' ' HG2' ' A' ' 34' ' ' GLU . 42.0 mtt -101.35 175.26 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.683 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -71.73 153.55 93.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.304 172.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.652 ' HG3' HG22 ' A' ' 62' ' ' VAL . 28.1 Cg_exo -61.83 154.88 58.01 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.775 2.317 . . . . 0.0 112.757 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 61' ' ' LYS . 18.4 p30 -81.82 -167.0 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.91 -21.31 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.103 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.46 -3.66 43.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.233 0.539 . . . . 0.0 110.247 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.4 17.79 51.48 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.126 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 87.7 tttt -94.1 127.21 39.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.67 0.271 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.652 HG22 ' HG3' ' A' ' 56' ' ' PRO . 42.7 t -85.43 134.92 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.43 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -105.26 136.58 44.53 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.979 0.419 . . . . 0.0 110.597 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 73.9 p -156.35 147.36 22.12 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.673 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.573 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 47.8 p90 -148.32 149.76 32.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.0 136.08 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -139.55 146.43 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.503 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -104.78 119.54 39.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.412 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.538 ' HB3' HG13 ' A' ' 48' ' ' VAL . 71.3 ttt-85 -106.35 107.26 18.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.918 0.39 . . . . 0.0 110.034 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.862 HG22 ' HG2' ' A' ' 47' ' ' LYS . 24.1 t -94.05 128.56 45.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.733 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.492 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -93.26 110.92 22.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.494 175.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -105.41 92.34 5.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 13.0 Cg_exo -69.87 -26.92 26.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.138 2.558 . . . . 0.0 113.426 -170.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.9 t -66.67 -46.34 86.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.829 0.347 . . . . 0.0 111.383 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 p -98.91 10.79 40.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.378 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 64.2 mtt180 55.31 44.32 27.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.25 0.548 . . . . 0.0 109.863 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -119.48 139.28 52.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.439 -172.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.554 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 91.0 t -114.79 126.7 72.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 172.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 79' ' ' ARG . 33.6 mtt180 -111.73 102.66 10.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.355 -177.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.05 99.45 9.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.945 0.403 . . . . 0.0 110.753 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -102.02 138.15 39.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.017 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -89.42 122.52 32.71 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.756 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.4 t -73.43 -49.65 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.386 0.612 . . . . 0.0 109.564 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 42.5 mt-10 -96.69 121.0 38.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.323 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.412 ' OG1' ' HB2' ' A' ' 88' ' ' PHE . 5.5 t -159.27 145.76 16.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.896 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -111.23 -82.96 1.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.541 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.57 -24.35 74.77 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.966 2.444 . . . . 0.0 112.809 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HB2' ' OG1' ' A' ' 85' ' ' THR . 81.6 m-85 -95.54 101.12 12.8 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -60.61 -39.62 88.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.906 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -135.14 141.96 46.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.398 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 42.7 ttm -159.11 108.61 1.92 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.254 0.549 . . . . 0.0 111.326 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -124.71 115.94 21.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.119 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.53 HG23 ' HG2' ' A' ' 110' ' ' GLN . 23.8 mt -99.02 106.46 18.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.989 0.423 . . . . 0.0 110.337 -176.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 97.0 t -98.32 112.79 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.055 -177.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.554 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 26.4 m0 -98.26 102.15 13.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -98.44 129.99 45.05 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -101.37 115.11 29.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.067 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.477 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.78 107.33 18.27 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.077 -175.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.472 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 36.0 tt0 -68.21 106.5 2.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.913 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.4 m -120.88 163.22 18.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.151 -175.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.83 -29.5 66.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.52 -24.5 42.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 0.0 110.775 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.61 -169.44 27.8 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.695 -173.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.3 m -79.89 108.96 13.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.866 0.365 . . . . 0.0 110.41 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.477 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 98.7 t -82.5 117.89 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 49.0 ttp -94.85 118.35 31.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.061 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.444 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 40.3 ttm180 -105.8 114.71 29.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.698 -177.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -96.3 91.36 5.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.163 0.506 . . . . 0.0 110.443 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.573 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 92.0 m -89.73 98.62 11.87 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.796 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.53 ' HG2' HG23 ' A' ' 93' ' ' ILE . 86.1 mt-30 -95.39 102.93 14.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.386 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -89.01 98.36 11.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -124.97 146.08 49.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.068 0.461 . . . . 0.0 110.495 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -130.26 108.21 9.85 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.836 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.567 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 60.7 mtp -98.84 141.29 31.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.178 0.514 . . . . 0.0 110.813 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.454 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 1.8 ttpm? -164.51 -56.98 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.502 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.454 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 11.6 Cg_endo -55.81 101.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.253 1.969 . . . . 0.0 112.749 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.9 t70 56.66 36.24 27.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.3 112.71 49.87 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -81.03 -2.14 11.59 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.786 2.324 . . . . 0.0 112.019 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 124' ' ' TRP . 9.3 m -115.76 156.77 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.752 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.682 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 38.8 t70 -97.3 29.51 3.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.324 -174.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 69.44 -48.43 0.6 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.161 -178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.44 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.682 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 95.7 m95 -60.0 -41.36 91.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.436 175.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 96.8 mmm -67.16 -50.48 61.02 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.87 177.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.4 m -51.96 -46.54 64.83 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.548 0.53 . . . . 0.0 111.589 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 18.9 t70 -57.79 -49.86 75.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 110.48 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -66.67 -37.85 85.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.704 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 125' ' ' MET . 75.6 mt -62.82 -45.98 97.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.554 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 13.9 m120 -53.36 -46.69 69.69 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.102 0.477 . . . . 0.0 110.411 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 81.8 mtt-85 -67.96 -51.15 50.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.068 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -66.33 -32.03 73.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.609 ' O ' ' HB2' ' A' ' 137' ' ' MET . 18.3 t -59.85 -43.87 94.4 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 130' ' ' ASN . 67.4 mtm180 -58.79 -40.53 84.3 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.152 176.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.8 m -64.93 -60.03 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.277 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -71.88 -44.11 64.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.188 -173.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.609 ' HB2' ' O ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -66.34 -36.76 83.74 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 121.256 -0.178 . . . . 0.0 110.985 -177.855 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.08 -36.77 75.16 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.473 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.13 -51.44 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.551 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.489 HG23 HD23 ' A' ' 31' ' ' LEU . 75.8 mt -64.94 -39.55 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.261 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 137' ' ' MET . 16.2 ttp85 -52.0 -56.34 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.993 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -69.12 -40.12 78.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.839 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 9.4 tpt180 -52.4 -52.63 52.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.017 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' A' ' 18' ' ' VAL . 15.7 tt -76.32 -30.31 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.56 -38.08 83.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.034 0.445 . . . . 0.0 109.844 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.99 -37.0 85.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.354 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.07 -38.55 85.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.31 -19.3 60.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.073 0.463 . . . . 0.0 110.878 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -85.24 -30.85 24.15 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.349 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.469 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.5 124.04 12.39 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.431 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -121.93 92.26 3.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.953 0.406 . . . . 0.0 109.997 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.538 ' OG1' ' HB2' ' A' ' 110' ' ' GLN . 3.0 p -101.69 101.93 12.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.47 -178.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.43 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 30.6 t70 -94.58 100.41 12.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -105.97 102.04 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.927 0.394 . . . . 0.0 111.102 -175.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.824 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 27.6 mt-10 -92.09 130.12 37.89 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.411 HG21 ' HB3' ' A' ' 137' ' ' MET . 6.0 tp -129.96 112.5 24.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.308 0.575 . . . . 0.0 109.936 173.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.405 HG23 HG22 ' A' ' 105' ' ' VAL . 9.3 m -79.7 113.42 17.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.432 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.543 HD13 HG21 ' A' ' 144' ' ' ILE . 62.0 mt -106.51 129.15 60.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.205 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.4 71.46 9.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.25 0.548 . . . . 0.0 110.305 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.43 149.43 24.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.858 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.49 ' O ' HG23 ' A' ' 18' ' ' VAL . 35.1 Cg_exo -62.11 137.83 68.94 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.008 2.472 . . . . 0.0 112.049 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 75.3 mtp -61.8 -20.82 64.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.253 -174.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.99 -60.36 3.99 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.675 0.274 . . . . 0.0 110.735 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.644 ' HA ' HG22 ' A' ' 20' ' ' THR . 23.1 tp -69.42 -31.69 70.19 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.607 ' HA ' HD11 ' A' ' 144' ' ' ILE . 89.8 t -56.94 -50.9 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.684 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -65.93 -49.91 66.28 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.56 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 17' ' ' LEU . 13.9 t -67.15 -17.01 64.66 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -173.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 83.4 mtp -93.34 -45.72 7.69 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.328 177.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.665 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 45.5 p -80.22 -22.33 41.94 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.767 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 12.8 t30 -86.01 -26.27 25.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.706 0.289 . . . . 0.0 110.923 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.53 ' OD2' ' HG2' ' A' ' 27' ' ' LYS . 13.6 t70 -79.3 97.98 6.5 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.621 HD11 HG22 ' A' ' 40' ' ' VAL . 20.4 pt -63.37 -21.06 27.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.158 -169.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.95 3.07 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.059 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.53 ' HG2' ' OD2' ' A' ' 24' ' ' ASP . 47.7 mmtm -92.09 -20.2 21.52 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.521 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 48.5 m0 -55.01 -51.12 82.15 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.938 -175.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.9 Cg_endo -59.04 -18.35 42.8 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.302 2.001 . . . . 0.0 113.301 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.23 -27.07 56.42 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.788 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.35 -45.41 5.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.771 0.32 . . . . 0.0 110.573 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -94.27 119.85 33.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.943 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 p -73.08 -32.15 64.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.38 -29.63 67.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -170.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -86.42 137.86 32.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' A' ' 55' ' ' HIS . . . -96.67 -58.54 2.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.653 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 m -134.59 135.32 42.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG11 ' HB ' ' A' ' 25' ' ' ILE . 66.5 t -104.08 106.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -93.87 119.61 33.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.989 -172.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.621 HG22 HD11 ' A' ' 25' ' ' ILE . 32.0 t -81.67 99.46 4.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.8 0.334 . . . . 0.0 110.245 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.45 -44.61 70.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.916 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.13 161.87 33.04 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.846 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -107.23 161.42 14.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.93 0.395 . . . . 0.0 110.154 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.761 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 30.6 t70 -138.07 159.45 42.0 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -49.66 -42.11 44.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.018 0.437 . . . . 0.0 111.638 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -124.4 10.07 8.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.407 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.889 ' HG2' HG22 ' A' ' 70' ' ' VAL . 40.2 mttp -137.57 178.03 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 111.739 -175.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.0 p -148.38 117.83 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.588 167.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.434 HG23 ' HG2' ' A' ' 68' ' ' GLU . 9.2 m -90.19 113.69 25.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.943 -177.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -127.31 161.01 29.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.168 0.508 . . . . 0.0 111.413 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -113.83 112.59 23.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.283 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 64' ' ' SER . 46.3 mt -81.51 106.1 13.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.585 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.6 p -102.4 120.07 39.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.7 mtt -82.47 172.01 13.49 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.459 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.433 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 38.0 p-80 -59.98 141.04 90.16 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.415 178.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -51.96 119.47 5.75 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.696 2.264 . . . . 0.0 111.931 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.46 159.38 34.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.671 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.39 -26.8 54.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.453 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.19 -5.45 41.91 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.121 0.486 . . . . 0.0 111.038 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.69 14.35 61.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.783 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -109.58 142.67 40.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.992 0.425 . . . . 0.0 111.048 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.57 102.07 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.088 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -69.59 107.28 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.675 0.75 . . . . 0.0 110.721 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.591 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 6.6 m -126.68 141.8 51.74 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.629 -175.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -144.49 149.46 35.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.802 0.334 . . . . 0.0 110.404 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -81.77 129.6 37.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.505 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.9 t -141.78 147.47 37.37 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HG2' HG23 ' A' ' 49' ' ' THR . 42.9 mt-10 -118.77 132.07 56.13 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.82 -178.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.453 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 31.6 ttt85 -101.74 107.12 18.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.37 176.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.889 HG22 ' HG2' ' A' ' 47' ' ' LYS . 40.0 t -88.75 105.52 15.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.687 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HA ' HG22 ' A' ' 78' ' ' VAL . . . -107.72 108.21 19.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.664 0.269 . . . . 0.0 111.556 -175.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 22.9 t70 -104.95 106.03 53.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 12.5 Cg_exo -70.63 -23.28 27.01 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 123.154 2.569 . . . . 0.0 112.839 -175.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.4 t -71.12 -52.09 29.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.114 0.483 . . . . 0.0 110.368 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -80.42 -15.29 57.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.04 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 60.85 39.63 16.73 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.032 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.5 m -131.46 130.88 43.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.779 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.586 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 97.7 t -119.01 136.21 56.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.233 -176.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.469 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 99.5 mtt180 -110.94 110.39 20.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.615 178.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.89 94.26 6.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -93.13 133.11 36.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.932 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 ttt-85 -85.04 106.67 16.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.093 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.3 -48.55 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.032 0.444 . . . . 0.0 110.432 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -90.19 150.08 22.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.686 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 17.1 p -121.81 -91.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.59 -107.82 3.44 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.231 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.77 -2.61 11.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.837 2.358 . . . . 0.0 112.326 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.686 ' O ' ' HB ' ' A' ' 85' ' ' THR . 96.3 m-85 -123.01 155.13 37.46 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -95.24 -37.55 10.97 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.9 0.381 . . . . 0.0 110.494 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -149.51 146.65 27.5 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 54.7 ttm -160.02 110.67 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 0.0 111.29 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -128.72 113.62 15.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.877 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.524 HG23 ' HG2' ' A' ' 110' ' ' GLN . 44.5 mt -95.16 113.53 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.516 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.575 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 38.4 t -93.84 120.79 43.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.397 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.665 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.2 m0 -97.57 98.22 9.72 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.843 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 48.5 mt-10 -91.0 114.17 26.62 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.409 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -91.48 109.26 20.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.464 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.78 121.21 43.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.046 0.451 . . . . 0.0 111.287 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.41 122.68 18.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.533 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' ' 103' ' ' GLY . 1.9 m -135.06 153.96 51.86 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.17 -14.46 57.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.318 0.58 . . . . 0.0 110.335 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.89 17.9 20.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.596 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.502 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 135.34 -169.23 23.48 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.272 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.3 m -109.43 117.3 33.67 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -91.44 102.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 44.7 ttp -92.98 118.64 31.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.843 ' HB2' ' HB2' ' A' ' 96' ' ' GLU . 35.8 mtp85 -103.21 114.62 29.06 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.489 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 3.8 m0 -89.39 82.49 6.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.845 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.575 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 8.7 m -87.64 94.97 9.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.538 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 85.8 mt-30 -91.64 109.38 20.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.786 -177.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -95.73 100.75 12.43 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -128.37 169.47 14.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.892 0.377 . . . . 0.0 110.443 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.34 128.44 12.76 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.522 ' C ' ' HD2' ' A' ' 116' ' ' PRO . 39.1 mtp -92.95 -119.61 0.09 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 119.118 -0.468 . . . . 0.0 110.139 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 114' ' ' MET . 23.5 mtpp 109.22 -32.75 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.037 1.335 . . . . 0.0 113.355 174.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.522 ' HD2' ' C ' ' A' ' 114' ' ' MET . 64.8 Cg_exo -44.75 159.31 0.13 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.278 1.319 . . . . 0.0 111.48 164.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -75.92 27.37 0.11 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.357 -173.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 116' ' ' PRO . . . -66.88 143.07 97.82 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.124 177.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.86 -44.54 46.52 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.905 2.404 . . . . 0.0 112.456 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.607 HG12 ' HD1' ' A' ' 124' ' ' TRP . 27.4 m -81.68 135.35 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.075 175.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.84 -177.57 3.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.35 -42.76 67.13 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.641 0.588 . . . . 0.0 111.342 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.04 -45.63 48.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.035 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.607 ' HD1' HG12 ' A' ' 120' ' ' VAL . 68.0 t-105 -69.16 -33.6 73.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.958 0.409 . . . . 0.0 110.254 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.514 ' CE ' ' HA ' ' A' ' 125' ' ' MET . 1.1 mmt -62.53 -38.93 91.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.088 173.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.517 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 87.8 m -56.55 -49.99 73.19 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.267 0.354 . . . . 0.0 110.989 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 8.8 t70 -57.22 -50.33 73.19 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.793 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -62.38 -47.4 84.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.41 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.92 -41.11 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.058 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -56.71 -48.83 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.874 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 38.6 mtt-85 -69.63 -51.25 36.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -64.54 -46.03 84.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.286 -174.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.8 m -68.02 -34.37 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.103 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -56.46 -48.64 76.66 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.0 m -68.91 -47.77 64.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.369 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -65.77 -46.47 78.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.727 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.411 ' HB3' HG21 ' A' ' 9' ' ' ILE . 89.3 mmm -68.28 -30.05 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.66 89.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.606 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.45 -48.1 81.12 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.03 0.443 . . . . 0.0 110.235 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.33 -42.57 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.276 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.492 ' HA ' HG22 ' A' ' 144' ' ' ILE . 1.1 tmt_? -59.74 -42.65 93.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.937 177.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 11.6 t70 -60.84 -49.44 77.45 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 143' ' ' ARG . 53.9 mmt-85 -62.74 -45.5 92.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.808 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 18' ' ' VAL . 17.5 tt -70.43 -31.54 47.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 121.126 -0.229 . . . . 0.0 111.475 -174.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.1 -35.38 66.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.452 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 99.4 mt-30 -61.31 -42.49 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.179 0.514 . . . . 0.0 109.724 173.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.23 85.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.324 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.424 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . . . -71.55 -20.64 62.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 111.551 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -83.92 -38.8 9.96 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.201 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.392 0.615 . . . . 0.0 110.436 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -110.92 105.99 1.98 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -91.5 92.86 8.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.75 0.31 . . . . 0.0 110.234 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 129' ' ' ILE . 12.0 m -91.93 101.7 14.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.118 178.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -104.36 88.73 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.629 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -90.0 111.48 22.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.059 0.457 . . . . 0.0 109.822 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.573 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 32.5 mt-10 -103.91 116.36 32.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.708 -175.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 137' ' ' MET . 15.6 tt -126.56 134.46 66.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.143 0.497 . . . . 0.0 110.919 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.8 m -89.37 116.82 27.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.86 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.1 mt -102.23 127.72 55.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.865 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.58 68.22 10.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.153 0.502 . . . . 0.0 110.627 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.63 148.95 19.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.606 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.537 ' O ' HG23 ' A' ' 18' ' ' VAL . 20.4 Cg_endo -60.99 138.73 80.55 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.281 2.654 . . . . 0.0 112.344 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.49 ' HG2' ' OG1' ' A' ' 104' ' ' THR . 78.3 mtp -58.23 -36.1 72.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.56 -172.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.17 -56.03 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -174.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.651 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 22.6 tp -64.21 -32.67 74.34 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 122.458 -0.151 . . . . 0.0 111.246 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 14' ' ' PRO . 96.2 t -60.52 -53.36 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.922 0.392 . . . . 0.0 110.082 175.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.414 ' CZ2' ' HB1' ' A' ' 71' ' ' ALA . 47.0 t-105 -56.13 -45.3 79.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.958 0.885 . . . . 0.0 109.655 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.651 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 4.5 m -57.5 -43.5 84.26 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.176 -1.374 . . . . 0.0 112.18 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 96.6 mmm -71.03 -40.11 71.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.47 0.176 . . . . 0.0 111.399 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.6 p -75.82 -14.16 60.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.34 . . . . 0.0 111.494 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -77.94 -24.98 48.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.734 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.474 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 13.4 t0 -79.23 81.97 5.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.589 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 28.6 pt -65.7 -24.92 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.805 -171.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.22 -22.91 61.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 111.315 -175.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HZ3' ' CG ' ' A' ' 24' ' ' ASP . 56.0 mttp -100.07 9.12 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.589 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 41.0 m0 -56.78 -48.27 97.58 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.769 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 15.5 Cg_endo -57.81 -19.74 40.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.391 2.061 . . . . 0.0 113.085 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.24 -23.98 77.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.832 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.39 -47.33 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.178 0.513 . . . . 0.0 110.398 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -78.91 166.38 22.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.468 -176.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 p -124.74 29.68 6.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -125.86 -25.41 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -174.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -117.27 160.31 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.228 -0.295 . . . . 0.0 111.207 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.93 -63.0 1.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.325 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.579 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 35.9 m -118.39 111.71 19.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.965 0.412 . . . . 0.0 111.002 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.1 t -102.39 103.3 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -103.56 132.43 49.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -174.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.535 HG22 HD11 ' A' ' 25' ' ' ILE . 21.5 t -77.89 125.61 37.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.227 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.9 mt -95.2 -19.73 19.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.353 0.596 . . . . 0.0 109.852 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.18 -176.85 23.99 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -156.23 137.53 13.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 117.614 0.707 . . . . 0.0 111.856 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.663 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 38.7 t70 -91.83 72.5 5.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.676 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 61.72 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.542 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -95.12 -27.78 15.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.782 0.325 . . . . 0.0 110.905 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.709 ' HG2' HG22 ' A' ' 70' ' ' VAL . 97.3 mttt -79.97 97.31 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.748 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 69' ' ' ARG . 10.9 p -89.2 121.17 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.505 0.669 . . . . 0.0 110.309 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 m -100.63 113.9 27.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.618 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.466 ' HB3' HD12 ' A' ' 25' ' ' ILE . 43.6 p90 -123.71 155.99 36.8 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.517 0.675 . . . . 0.0 111.679 -176.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -102.86 113.04 26.14 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.677 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 64' ' ' SER . 13.1 mt -85.32 90.66 7.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 64.2 m -83.8 97.77 9.35 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.633 0.73 . . . . 0.0 109.042 172.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.5 ttt -82.77 157.33 23.28 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.123 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 18.3 p-80 -58.72 139.17 86.35 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.393 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HG3' HG22 ' A' ' 62' ' ' VAL . 26.6 Cg_exo -62.63 140.05 78.93 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.597 2.198 . . . . 0.0 112.029 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.608 ' HB2' ' CZ2' ' A' ' 63' ' ' TRP . 17.7 t70 -79.58 170.04 17.14 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.36 -21.12 63.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.331 0.586 . . . . 0.0 109.948 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.43 -25.0 68.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.779 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.42 -2.61 68.03 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.098 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -83.09 129.64 35.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.431 HG22 ' HG3' ' A' ' 56' ' ' PRO . 41.6 t -96.44 108.56 21.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 176.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.608 ' CZ2' ' HB2' ' A' ' 57' ' ' ASP . 4.7 m0 -79.34 103.49 9.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.312 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 17.0 t -125.64 102.79 7.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.1 p90 -121.61 171.63 8.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.952 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.7 t -96.4 144.64 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.076 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -143.11 141.46 31.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.832 0.348 . . . . 0.0 110.184 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -109.4 128.47 55.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.374 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 30.9 ttp85 -118.37 105.84 12.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.867 0.365 . . . . 0.0 110.048 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.709 HG22 ' HG2' ' A' ' 47' ' ' LYS . 40.0 t -90.54 118.2 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.798 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.434 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -105.91 113.65 27.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.537 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.1 100.79 18.4 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 14.4 Cg_exo -69.67 -15.68 37.54 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.264 2.643 . . . . 0.0 112.897 -175.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.3 t -81.37 -41.32 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.321 0.581 . . . . 0.0 110.145 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 m -89.19 -13.66 37.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.691 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? 59.52 41.61 18.83 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.906 -175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.1 m -134.15 132.51 39.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.331 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.544 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 48.4 t -114.77 136.66 50.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.038 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -125.31 117.54 24.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.813 0.34 . . . . 0.0 110.631 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -111.3 113.68 26.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.607 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.459 ' HB3' ' ND2' ' A' ' 92' ' ' ASN . 13.2 pt20 -112.11 141.97 45.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.627 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.621 HH21 ' HG3' ' A' ' 91' ' ' MET . 39.6 mtm180 -98.2 135.37 39.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.436 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.5 t -76.47 -34.93 25.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.359 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.47 138.51 43.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.181 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 22.5 p -116.1 -156.95 0.63 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.761 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.79 -107.98 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.75 -27.09 44.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.367 2.045 . . . . 0.0 110.77 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.604 ' O ' ' HB ' ' A' ' 85' ' ' THR . 74.5 m-85 -94.87 135.54 36.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.202 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -81.06 -36.95 29.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.449 0.642 . . . . 0.0 109.856 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.603 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 49.6 t80 -129.95 135.78 48.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.848 -176.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.621 ' HG3' HH21 ' A' ' 82' ' ' ARG . 83.2 mmm -141.99 99.84 3.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.677 0.275 . . . . 0.0 111.465 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 81' ' ' GLN . 12.3 t-20 -131.42 107.46 8.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 20.0 mt -92.42 117.4 35.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.811 0.339 . . . . 0.0 110.419 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.578 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 39.4 t -105.69 117.18 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.972 -176.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.544 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 49.3 m0 -102.0 101.09 11.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.7 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.46 ' HB3' ' HB3' ' A' ' 107' ' ' ARG . 28.5 tt0 -99.96 125.42 45.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -102.41 114.53 28.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.304 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.69 132.61 51.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.644 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.1 138.42 40.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.135 0.493 . . . . 0.0 110.87 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.466 ' OG1' HG23 ' A' ' 105' ' ' VAL . 18.4 m -140.28 161.89 36.59 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.472 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.25 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.22 5.15 31.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 156.13 -169.1 33.65 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 119.023 -1.56 . . . . 0.0 113.352 -176.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.49 ' OG1' ' HG2' ' A' ' 15' ' ' MET . 5.3 m -98.91 123.54 43.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.471 -0.365 . . . . 0.0 111.185 -176.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.466 HG23 ' OG1' ' A' ' 100' ' ' THR . 69.6 t -86.27 112.59 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 170.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 44.8 ttp -94.08 115.77 28.11 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.573 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 19.9 ttm-85 -88.63 98.15 11.51 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.89 85.62 6.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.123 0.487 . . . . 0.0 109.838 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.578 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 56.8 m -89.14 98.93 12.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.448 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -89.06 95.58 10.37 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.77 100.24 13.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.603 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -123.17 167.64 13.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.252 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.603 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -144.95 128.6 17.15 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.493 176.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.426 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 77.1 mtp -105.81 168.74 8.91 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.362 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.503 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 10.2 mtpp -169.79 -44.43 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 123.776 0.673 . . . . 0.0 111.149 -176.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.503 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 51.6 Cg_exo -43.28 161.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.365 1.415 0 C-N-CA 122.075 1.85 . . . . 0.0 112.565 170.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.04 31.85 0.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.628 0.728 . . . . 0.0 111.03 -168.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -63.71 139.79 97.69 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.374 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 13.8 Cg_exo -70.44 -2.2 10.27 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.128 2.552 . . . . 0.0 112.81 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.6 m -110.09 124.4 66.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.2 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.83 175.65 10.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.874 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -55.37 -45.31 76.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.599 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.92 98.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.675 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -64.35 -42.54 96.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.979 0.419 . . . . 0.0 110.048 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.426 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 90.9 mmm -69.47 -37.84 77.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 91.7 m -57.69 -44.88 86.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.994 0.426 . . . . 0.0 109.999 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.81 -46.28 91.16 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.638 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -57.43 -49.8 75.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.712 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.45 ' CG2' HG21 ' A' ' 5' ' ' THR . 98.8 mt -63.91 -37.0 78.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.122 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -52.06 -47.71 64.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.539 0.209 . . . . 0.0 110.846 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -67.65 -53.75 25.33 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.192 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.03 -48.97 78.47 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.271 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' A' ' 137' ' ' MET . 28.3 t -60.61 -52.5 64.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.775 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -56.09 -35.19 66.73 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 38.8 m -69.34 -54.38 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.989 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -69.7 -33.52 72.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.68 -176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.495 ' HB3' HG21 ' A' ' 9' ' ' ILE . 29.7 mmt -64.82 -38.62 91.61 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.67 81.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.97 0.414 . . . . 0.0 110.572 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.7 tt -67.94 -49.33 62.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.028 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.511 ' O ' HG12 ' A' ' 144' ' ' ILE . 65.9 mt -63.69 -48.94 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.682 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -41.72 72.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.996 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.593 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 14.1 t70 -60.54 -48.4 81.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.067 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -68.08 -36.11 79.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.162 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 140' ' ' ILE . 36.0 mm -59.47 -47.39 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.144 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.44 -31.27 71.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.015 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 50.0 mt-30 -63.2 -52.47 62.17 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.088 0.471 . . . . 0.0 110.301 174.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.83 91.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.143 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.47 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -73.41 -15.05 61.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.67 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -85.59 -30.97 22.86 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.526 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.512 178.2 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.92 90.77 1.19 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.969 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -93.03 89.52 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.114 0.483 . . . . 0.0 109.977 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.549 ' HG1' ' HE2' ' A' ' 112' ' ' PHE . 13.3 m -101.16 113.51 26.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.824 -175.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -99.18 95.98 7.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.494 0.664 . . . . 0.0 110.555 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.829 HD21 HG22 ' A' ' 129' ' ' ILE . 91.9 m-20 -91.62 94.87 9.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.552 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.641 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 24.4 mt-10 -101.53 110.7 22.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.515 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.524 HG21 ' HB3' ' A' ' 137' ' ' MET . 14.5 tt -118.6 131.7 70.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.112 0.482 . . . . 0.0 110.294 175.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.8 m -84.22 113.22 20.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.773 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 144' ' ' ILE . 30.8 mm -86.56 138.93 18.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.242 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.46 37.97 0.53 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 0.0 111.053 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.53 146.57 32.99 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.024 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' O ' HG23 ' A' ' 18' ' ' VAL . 46.5 Cg_endo -69.29 161.8 44.4 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.679 2.253 . . . . 0.0 112.234 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.475 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 83.6 mtp -60.22 -20.94 61.01 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.79 -62.74 1.45 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.451 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.94 -32.74 61.84 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.184 -0.207 . . . . 0.0 110.89 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.475 ' HB ' ' HA ' ' A' ' 15' ' ' MET . 72.9 t -56.5 -54.81 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.027 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -65.11 -42.32 94.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -32.83 63.88 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.262 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.3 mmm -92.36 -41.52 10.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.5 p -74.93 -24.4 58.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.74 0.305 . . . . 0.0 111.734 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.501 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 65.0 t30 -72.01 -24.92 61.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.289 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.7 94.84 8.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.1 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 40' ' ' VAL . 36.0 pt -70.35 -19.73 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.39 -171.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.65 -8.39 57.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -103.0 -2.85 26.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.531 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 45.6 m0 -57.96 -51.8 79.15 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.531 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 45.3 Cg_exo -57.61 -27.54 77.49 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 122.324 2.016 . . . . 0.0 113.061 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.5 -39.04 57.4 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.896 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mp -86.33 -48.3 8.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.714 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CD2' HD11 ' A' ' 140' ' ' ILE . 0.3 OUTLIER -97.19 103.37 15.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 m -88.47 82.78 6.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.218 0.532 . . . . 0.0 111.198 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -159.86 -46.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.334 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.449 ' HD1' ' SD ' ' A' ' 54' ' ' MET . 29.6 m-85 -79.46 130.97 35.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.309 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.47 86.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.838 0.352 . . . . 0.0 110.998 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.4 t -165.96 153.42 10.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.295 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.512 HG21 ' HB2' ' A' ' 28' ' ' TRP . 98.9 t -110.85 103.22 15.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -94.25 131.7 39.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.285 -173.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.585 HG22 HD11 ' A' ' 25' ' ' ILE . 38.3 t -78.83 105.24 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.895 177.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.3 tp -82.0 -27.27 33.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.389 0.614 . . . . 0.0 109.563 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.37 -176.56 35.31 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.116 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' A' ' 48' ' ' VAL . 64.6 mtp180 -132.84 124.93 28.88 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.833 0.316 . . . . 0.0 110.522 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -81.88 68.92 8.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 57.68 -85.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.62 -1.173 . . . . 0.0 112.286 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.08 -12.93 42.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.971 0.415 . . . . 0.0 110.565 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -107.0 165.84 11.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.168 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.579 HG13 ' HB3' ' A' ' 69' ' ' ARG . 7.3 p -126.09 123.54 64.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 110.035 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.1 m -101.68 116.13 32.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.237 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 67' ' ' SER . 36.1 p90 -119.65 146.28 45.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.134 0.492 . . . . 0.0 110.819 -175.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -110.56 117.09 32.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.715 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.5 mt -83.46 113.68 20.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.6 p -95.09 121.55 36.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.865 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.493 ' HB2' ' HB2' ' A' ' 63' ' ' TRP . 86.9 mmm -106.42 168.57 9.07 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 7.4 p80 -63.5 134.6 95.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.025 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.541 ' HG3' HG22 ' A' ' 62' ' ' VAL . 22.7 Cg_exo -65.23 153.0 80.34 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.847 2.364 . . . . 0.0 112.35 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.19 164.29 13.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.614 174.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.37 61.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 110.869 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.03 -29.98 66.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.548 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.4 -3.39 20.19 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.633 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -73.96 116.42 14.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.829 0.347 . . . . 0.0 110.435 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.541 HG22 ' HG3' ' A' ' 56' ' ' PRO . 43.6 t -80.67 118.61 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.491 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.493 ' HB2' ' HB2' ' A' ' 54' ' ' MET . 19.7 m0 -79.87 117.26 20.57 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -150.34 136.31 18.5 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.48 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.499 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 7.4 p90 -137.53 137.17 38.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.039 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.0 t -83.11 140.46 16.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.423 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 16.5 m -140.36 155.53 46.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.471 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.84 121.1 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.681 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.579 ' HB3' HG13 ' A' ' 48' ' ' VAL . 46.3 ttt-85 -105.28 116.93 32.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.38 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.31 114.1 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.186 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.69 109.3 20.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.506 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 17.8 t70 -97.21 111.65 58.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.977 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 5.0 Cg_exo -78.38 -11.45 15.9 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.259 2.639 . . . . 0.0 113.028 -175.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -82.83 -51.28 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.282 0.563 . . . . 0.0 110.077 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m -83.83 -19.39 35.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.749 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 61.13 50.81 4.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.151 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.3 m -134.63 132.6 39.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.806 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.53 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 60.4 t -114.28 124.97 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.634 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -108.91 115.12 29.47 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.196 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.01 96.06 6.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.368 0.604 . . . . 0.0 109.879 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -97.7 134.03 41.43 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.381 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.611 HH12 ' HA ' ' A' ' 85' ' ' THR . 41.0 mtm105 -95.11 118.01 31.17 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.332 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.4 t -71.7 -40.85 70.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.211 0.529 . . . . 0.0 109.717 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.499 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 43.4 mt-10 -102.02 149.14 24.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.042 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.611 ' HA ' HH12 ' A' ' 82' ' ' ARG . 7.0 t -151.43 176.21 11.51 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.029 -176.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . -126.08 -97.24 1.05 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.772 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.44 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 4.7 Cg_exo -75.28 2.29 6.93 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.887 2.391 . . . . 0.0 112.434 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -109.06 137.02 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -82.55 -30.44 29.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.278 0.561 . . . . 0.0 110.064 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -150.98 153.05 34.45 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.0 ttm -166.91 110.02 0.71 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.179 0.514 . . . . 0.0 111.821 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -119.39 116.97 27.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.526 HG23 ' HG2' ' A' ' 110' ' ' GLN . 40.7 mt -95.28 103.07 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.871 0.367 . . . . 0.0 110.55 -175.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 48.8 t -90.39 109.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.048 -178.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 30.4 m0 -86.1 94.26 9.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.392 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -96.12 125.31 40.56 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -106.12 114.79 29.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.878 0.371 . . . . 0.0 110.693 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.43 101.94 11.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.296 0.57 . . . . 0.0 110.091 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.433 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 41.7 tt0 -61.91 129.51 41.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.715 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -128.46 169.44 14.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.59 -42.63 98.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.659 0.266 . . . . 0.0 111.68 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.89 -39.19 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.525 -175.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 11' ' ' ILE . . . -166.68 -169.21 29.99 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.449 -0.882 . . . . 0.0 112.268 -178.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m -99.9 125.41 45.88 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.542 0.211 . . . . 0.0 111.048 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.579 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 74.9 t -78.57 100.46 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 170.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 46.0 ttp -83.88 105.31 14.67 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.641 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 23.2 ttt180 -105.68 103.3 12.78 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.027 -172.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -86.28 92.25 8.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.845 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.4 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 16.6 m -90.71 96.4 10.62 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.496 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.526 ' HG2' HG23 ' A' ' 93' ' ' ILE . 82.7 mt-30 -89.26 114.08 25.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.985 0.421 . . . . 0.0 110.879 -177.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -91.8 92.66 8.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.549 ' HE2' ' HG1' ' A' ' 5' ' ' THR . 48.7 p90 -127.38 159.2 35.18 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.533 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.37 127.68 24.48 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.808 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.816 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 81.1 mtp -116.94 -156.55 0.63 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 114' ' ' MET . 34.1 mtmm 101.54 -14.79 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 58.3 Cg_endo -72.13 87.29 0.89 Allowed 'Trans proline' 0 C--N 1.369 1.619 0 CA-C-N 122.725 2.009 . . . . 0.0 112.569 177.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 38.6 t70 60.25 66.25 0.98 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.59 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -141.97 131.07 12.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.04 -23.74 46.01 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.861 2.374 . . . . 0.0 112.147 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.4 m -99.11 136.72 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.361 0.6 . . . . 0.0 110.612 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.673 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 23.2 t70 -93.88 168.49 10.94 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.463 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.32 -37.67 62.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.0 86.24 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.535 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.673 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 99.1 m95 -62.86 -43.52 98.57 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.988 0.423 . . . . 0.0 110.529 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.816 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 98.2 mmm -70.92 -31.69 68.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.463 -177.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 86.4 m -58.5 -51.14 71.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 110.297 176.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.39 -42.59 83.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.892 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.01 -53.64 56.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.62 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.829 HG22 HD21 ' A' ' 7' ' ' ASN . 72.0 mt -61.69 -39.05 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.736 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.534 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 3.6 t-20 -57.26 -51.05 70.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 134' ' ' ARG . 46.7 mtm105 -74.82 -38.75 61.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.73 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.13 -36.03 82.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 110.444 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.6 t -66.86 -39.06 87.45 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 131' ' ' ARG . 38.2 ttt180 -54.37 -44.48 72.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.218 174.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 25.3 m -67.63 -52.5 37.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.357 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -65.16 -45.06 86.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.856 0.36 . . . . 0.0 111.878 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.524 ' HB3' HG21 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -73.39 -19.53 60.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.111 -176.459 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.56 -46.91 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 168.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.96 -45.41 82.86 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.159 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' A' ' 32' ' ' PHE . 81.0 mt -66.01 -43.55 92.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.247 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -56.96 -49.34 76.01 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.137 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 4.1 m-20 -56.32 -46.89 79.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.021 0.439 . . . . 0.0 110.454 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -71.06 -29.45 65.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.968 -176.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 11' ' ' ILE . 21.0 mm -66.47 -44.24 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.049 0.452 . . . . 0.0 109.888 172.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.66 -38.13 86.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.337 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 98.4 mt-30 -63.13 -35.83 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.487 175.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.6 62.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.658 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.27 68.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.074 0.464 . . . . 0.0 110.838 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -71.75 -29.39 67.52 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 175.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.964 0.411 . . . . 0.0 110.111 177.467 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.08 110.43 3.25 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.866 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -91.32 78.26 5.77 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 HG23 ' A' ' 126' ' ' THR . 21.8 m -83.7 96.29 8.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.986 0.422 . . . . 0.0 110.932 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 38.1 t70 -105.84 94.97 5.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.275 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.664 ' OD1' ' HA ' ' A' ' 130' ' ' ASN . 0.8 OUTLIER -104.33 142.47 34.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.658 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.548 ' HB2' ' HG3' ' A' ' 107' ' ' ARG . 39.0 tt0 -130.98 148.46 52.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 -172.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 137' ' ' MET . 13.5 tt -156.07 139.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.987 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.1 m -98.94 111.19 23.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.903 0.383 . . . . 0.0 110.919 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.6 mt -90.47 127.77 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.285 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.92 78.24 9.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.162 0.506 . . . . 0.0 110.758 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.64 152.02 10.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.705 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.448 ' O ' HG23 ' A' ' 18' ' ' VAL . 32.1 Cg_exo -58.63 133.01 51.52 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.66 2.24 . . . . 0.0 111.886 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.416 ' HG2' ' OG1' ' A' ' 104' ' ' THR . 68.1 mtp -54.5 -30.93 54.97 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.612 -175.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.44 -62.8 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.606 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 7.2 mp -61.18 -32.33 72.08 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.485 HG22 HG21 ' A' ' 144' ' ' ILE . 84.1 t -59.88 -55.25 25.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.705 0.288 . . . . 0.0 110.619 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -63.78 -39.16 93.58 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.294 0.569 . . . . 0.0 109.618 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.606 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 18.8 m -56.41 -46.49 80.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.906 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.1 mtp -76.44 -32.81 58.67 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.8 p -85.54 -11.55 53.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.654 0.264 . . . . 0.0 111.544 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.581 ' HA ' HH22 ' A' ' 69' ' ' ARG . 48.1 t-20 -62.18 -61.99 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -71.95 124.95 26.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.849 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.635 HD11 HG22 ' A' ' 40' ' ' VAL . 27.7 pt -76.65 -19.59 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.074 -176.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.61 -5.91 47.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.56 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -95.92 -14.17 23.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.402 . . . . 0.0 110.194 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.556 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 46.6 m0 -58.79 -46.1 99.58 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.653 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 19.6 Cg_endo -61.15 -13.33 27.44 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 122.189 1.926 . . . . 0.0 112.811 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.62 -21.77 61.28 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.532 176.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.033 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 7.9 mp -102.05 -42.79 5.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.4 106.63 18.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.082 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -62.58 -27.31 69.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.927 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -77.43 -11.95 59.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.776 -175.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -92.25 99.94 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.71 -30.19 59.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.624 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 66.1 m -152.57 142.82 22.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.785 177.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.412 HG21 ' HD3' ' A' ' 29' ' ' PRO . 61.8 t -127.46 101.57 7.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 172.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -93.81 134.31 36.29 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 0.0 111.203 -173.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.635 HG22 HD11 ' A' ' 25' ' ' ILE . 6.4 t -89.67 112.76 24.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.077 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 51' ' ' ARG . 9.0 mp -85.78 -23.02 27.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.973 0.415 . . . . 0.0 110.407 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.47 158.88 10.56 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.079 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG2' HG23 ' A' ' 48' ' ' VAL . 57.8 mtp180 -138.54 110.59 7.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.977 0.418 . . . . 0.0 110.749 177.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.655 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 8.6 m-20 -93.94 65.76 3.54 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 63.46 -85.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.93 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.54 -17.91 29.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.335 0.588 . . . . 0.0 110.21 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.655 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 60.9 mttm -89.83 133.14 34.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.553 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 ' HB3' ' A' ' 69' ' ' ARG . 4.8 p -130.84 118.61 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.382 0.61 . . . . 0.0 110.382 173.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -98.71 115.86 29.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.565 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -127.06 158.3 37.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.019 0.437 . . . . 0.0 110.972 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HB2' HD11 ' A' ' 41' ' ' LEU . 43.8 ttp180 -125.72 120.05 29.62 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.714 ' O ' ' HA ' ' A' ' 64' ' ' SER . 82.2 mt -89.5 114.27 25.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.847 -177.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.518 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 97.3 m -100.22 110.98 23.24 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.667 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.6 mtt -92.45 -163.5 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.22 0.533 . . . . 0.0 111.336 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 21.7 p-80 -60.46 148.03 81.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.458 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 55' ' ' HIS . 8.1 Cg_exo -73.61 127.78 12.02 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.647 2.231 . . . . 0.0 110.695 169.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -72.3 165.55 24.24 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.44 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.94 -30.97 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.571 0.348 . . . . 0.0 111.76 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -79.73 -4.76 53.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 110.968 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.01 17.89 52.29 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.489 -175.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -89.84 111.01 21.91 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.77 120.52 37.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -81.19 88.71 6.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.36 0.6 . . . . 0.0 110.081 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.714 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 9.4 t -125.65 124.85 42.06 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.71 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 84' ' ' GLU . 12.9 p90 -134.53 147.95 50.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.025 0.44 . . . . 0.0 111.384 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.66 137.51 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.925 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.5 m -146.03 150.65 36.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.037 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -107.77 135.71 48.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.981 0.419 . . . . 0.0 110.55 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.581 HH22 ' HA ' ' A' ' 23' ' ' ASN . 33.6 ttt180 -124.83 130.18 51.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.916 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.4 t -111.31 121.31 63.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.246 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -96.63 106.11 18.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.808 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.548 ' HB3' ' O ' ' A' ' 77' ' ' THR . 0.6 OUTLIER -99.04 109.75 55.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.03 0.443 . . . . 0.0 110.982 177.806 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -87.12 -3.34 7.93 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.836 2.358 . . . . 0.0 112.561 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.1 t -84.35 -51.51 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.005 0.431 . . . . 0.0 110.399 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -100.05 3.88 44.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.251 0.548 . . . . 0.0 109.856 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.487 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 82.0 mtt180 60.79 36.27 19.25 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.478 175.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.548 ' O ' ' HB3' ' A' ' 72' ' ' ASP . 86.8 m -122.05 124.11 43.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.012 -175.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.59 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 44.6 t -98.75 129.83 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.523 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 27.5 mmt180 -105.56 98.88 8.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.31 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.7 101.45 9.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.868 0.366 . . . . 0.0 110.089 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.408 ' HB3' HD22 ' A' ' 92' ' ' ASN . 13.1 pt20 -112.51 140.52 47.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.307 0.575 . . . . 0.0 111.029 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -84.72 112.84 20.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.29 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.3 t -72.83 -36.2 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.534 ' HB3' ' HB2' ' A' ' 65' ' ' TRP . 7.2 tp10 -99.73 101.79 13.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.385 175.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -101.03 -80.35 0.49 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -176.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.49 -102.73 2.04 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.274 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.62 -14.26 43.87 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.05 2.5 . . . . 0.0 112.145 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -111.83 165.12 12.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.636 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.845 ' HB2' ' HB2' ' A' ' 115' ' ' LYS . 64.5 tt0 -99.77 -56.09 2.48 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.93 0.395 . . . . 0.0 110.1 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -137.35 127.02 25.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.031 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 84.0 mtp -131.25 114.73 15.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.551 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.408 HD22 ' HB3' ' A' ' 81' ' ' GLN . 21.2 t-20 -117.3 109.94 17.46 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.583 HG23 ' HG2' ' A' ' 110' ' ' GLN . 48.8 mt -92.23 111.82 24.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.972 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.584 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 41.4 t -98.25 111.35 27.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.768 -178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.59 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 11.7 m0 -92.54 96.04 9.98 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 174.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -96.83 113.13 24.66 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.836 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -90.4 117.56 29.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.93 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.536 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.59 118.69 37.33 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.327 0.584 . . . . 0.0 111.092 -175.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.487 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 45.3 tt0 -63.76 113.36 3.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.962 176.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.9 m -130.78 157.93 41.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.21 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.29 -17.51 62.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.871 -176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -92.98 -22.98 18.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.915 0.388 . . . . 0.0 111.198 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.61 -169.27 32.86 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.047 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.416 ' OG1' ' HG2' ' A' ' 15' ' ' MET . 41.7 m -80.52 108.33 14.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.87 0.366 . . . . 0.0 110.566 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 40.3 t -81.35 115.58 24.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.054 0.454 . . . . 0.0 110.182 177.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 46.6 ttp -103.57 112.24 25.07 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.548 ' HG3' ' HB2' ' A' ' 8' ' ' GLU . 23.8 ttm105 -112.23 114.05 26.62 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.117 -176.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -92.49 91.99 7.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.256 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.584 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 5.4 m -83.96 92.5 7.84 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.623 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.583 ' HG2' HG23 ' A' ' 93' ' ' ILE . 67.1 mt-30 -89.14 90.95 8.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -92.73 101.6 14.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.161 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -121.99 148.91 44.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.395 0.616 . . . . 0.0 111.803 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -120.13 133.68 55.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.208 173.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 47.6 mtp -95.07 -175.54 3.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.087 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.845 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 86.3 tttt -158.55 -55.13 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -173.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 12.1 Cg_exo -71.94 -149.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.365 2.044 . . . . 0.0 112.854 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -58.03 -38.18 75.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.806 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 50.41 77.28 0.47 Allowed Pre-proline 0 CA--C 1.534 0.349 0 O-C-N 123.817 0.698 . . . . 0.0 112.135 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.04 -32.08 54.15 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.434 2.089 . . . . 0.0 111.154 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.3 m -98.51 133.35 41.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.396 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.44 170.37 12.76 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.71 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -56.37 -41.18 75.78 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.26 98.62 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.404 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -69.99 -40.32 75.4 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.233 -0.587 . . . . 0.0 109.737 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.42 ' O ' HG13 ' A' ' 129' ' ' ILE . 82.4 mmm -61.94 -54.8 36.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.566 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.559 HG23 HG23 ' A' ' 5' ' ' THR . 47.7 m -56.05 -41.84 75.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.942 0.401 . . . . 0.0 111.323 -178.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.2 -39.23 68.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.449 . . . . 0.0 111.02 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -62.76 -48.06 80.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.112 0.482 . . . . 0.0 110.334 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.427 HD13 ' OE1' ' A' ' 110' ' ' GLN . 91.4 mt -62.44 -30.5 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.372 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.664 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 3.6 t-20 -58.66 -50.58 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.58 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -63.04 -40.62 98.27 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.955 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -61.88 -46.98 87.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.464 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.7 m -62.12 -42.35 99.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.677 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.0 ttp85 -53.36 -54.05 42.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.038 0.446 . . . . 0.0 110.158 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 29.1 m -66.69 -53.57 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.878 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -71.09 -44.3 65.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.52 ' HB3' HG21 ' A' ' 9' ' ' ILE . 19.8 mmt -74.14 -25.72 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.947 -174.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.95 85.54 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 171.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.26 -45.0 96.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.183 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.509 HG23 HD23 ' A' ' 31' ' ' LEU . 72.0 mt -62.35 -44.21 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.229 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.405 ' HE ' HD11 ' A' ' 9' ' ' ILE . 33.6 ttp85 -57.39 -51.89 67.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.521 0.201 . . . . 0.0 110.773 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -38.48 88.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 1.033 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 2.2 tpm_? -60.23 -50.48 73.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.979 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.485 HG21 HG22 ' A' ' 18' ' ' VAL . 66.0 mt -68.75 -45.49 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.73 -43.46 94.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.967 0.413 . . . . 0.0 110.231 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -59.23 -54.76 43.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.877 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.92 81.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.484 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.3 -37.5 71.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.308 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -70.35 -45.11 56.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.755 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.681 0.277 . . . . 0.0 111.384 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.632 ' HA3' ' CE1' ' A' ' 112' ' ' PHE . . . -124.33 112.84 1.88 Allowed Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.064 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -109.12 101.02 10.11 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.767 0.318 . . . . 0.0 110.175 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 m -112.16 109.41 19.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -95.61 103.12 14.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.515 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 40.2 m-80 -95.03 96.55 9.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.928 0.394 . . . . 0.0 110.251 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -97.51 137.11 36.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.303 -174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 tt -142.53 137.7 28.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.978 0.418 . . . . 0.0 110.758 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 m -96.55 112.05 23.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG23 ' HG3' ' A' ' 141' ' ' ARG . 57.7 mt -102.12 132.65 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.12 36.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.026 0.441 . . . . 0.0 111.545 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.09 147.39 44.54 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.391 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.28 137.26 80.86 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.817 2.344 . . . . 0.0 112.059 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.3 mtp -50.98 -38.04 48.53 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.86 -60.72 3.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.609 HD23 ' HB2' ' A' ' 148' ' ' ALA . 24.8 tp -63.63 -33.66 76.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.833 0.288 . . . . 0.0 111.468 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.6 t -60.23 -54.22 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.897 0.379 . . . . 0.0 110.396 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -57.73 -44.01 85.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.506 0.67 . . . . 0.0 109.451 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.599 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 17.0 m -57.77 -45.77 85.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.431 -1.258 . . . . 0.0 112.392 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 91.8 mtp -78.68 -40.74 33.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.69 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 24.7 p -72.21 -25.18 61.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -88.24 -10.88 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.55 0.204 . . . . 0.0 111.55 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -81.5 77.51 8.36 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.523 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 26.5 pt -67.48 -15.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.204 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.46 -13.62 61.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.328 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -117.78 21.74 12.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.0 111.146 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 9.7 m0 -54.46 -42.87 96.72 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 175.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -59.22 -8.12 6.05 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.424 2.082 . . . . 0.0 113.446 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.67 -10.52 67.24 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.861 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -120.24 -46.66 2.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -93.59 150.89 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.041 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.7 m -100.73 -28.9 12.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.598 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -75.72 -41.84 52.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.204 -174.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -78.81 95.65 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.383 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.52 -37.89 24.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.392 -177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.577 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 56.4 m -129.56 110.05 11.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.239 0.542 . . . . 0.0 111.426 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 28' ' ' TRP . 60.5 t -105.2 98.89 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.91 105.09 15.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -172.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.444 HG22 HD11 ' A' ' 25' ' ' ILE . 27.3 t -68.33 126.38 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.94 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.78 -37.62 11.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.954 0.407 . . . . 0.0 110.744 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.87 157.46 29.5 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.484 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -128.92 91.15 3.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.803 0.335 . . . . 0.0 110.736 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.484 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 8.1 m-20 -82.38 167.43 18.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -52.17 -39.92 60.74 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.481 0.488 . . . . 0.0 112.079 -173.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -132.94 15.71 4.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.053 0.454 . . . . 0.0 110.746 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 13.4 mptt -132.42 93.61 3.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.451 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.735 HG13 ' HB3' ' A' ' 69' ' ' ARG . 4.1 p -92.03 102.75 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.687 0.756 . . . . 0.0 109.505 172.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.7 m -81.75 118.32 22.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.41 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 69' ' ' ARG . 38.2 p90 -120.82 140.2 52.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.516 0.674 . . . . 0.0 110.96 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 51' ' ' ARG . 6.4 ttt180 -103.47 115.02 29.75 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.673 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 64' ' ' SER . 89.1 mt -87.95 113.17 23.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.19 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.577 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 18.2 m -108.86 120.59 42.95 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.74 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.7 mmt -95.03 161.46 14.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.705 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -61.17 134.67 93.17 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.224 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.477 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 78.1 Cg_exo -51.31 132.9 41.03 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.196 2.598 . . . . 0.0 112.602 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -81.92 -164.16 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.581 -176.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.44 -29.16 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.546 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.64 -19.46 61.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.275 0.56 . . . . 0.0 110.454 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.09 18.58 62.67 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.56 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 88.7 tttt -96.36 142.1 28.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.852 0.358 . . . . 0.0 110.245 -178.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.0 t -85.74 110.13 19.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.804 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -83.5 98.53 9.59 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.425 0.631 . . . . 0.0 110.771 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 15.4 m -118.98 124.32 46.73 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.613 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.538 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 13.2 p90 -128.6 142.95 50.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.037 0.446 . . . . 0.0 111.003 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.8 t -86.83 131.77 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.313 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -136.22 151.53 49.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.716 175.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -111.64 129.26 56.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.73 0.3 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.735 ' HB3' HG13 ' A' ' 48' ' ' VAL . 34.9 ttt85 -103.12 102.16 12.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.084 0.469 . . . . 0.0 110.102 176.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.93 97.92 7.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.746 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.417 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -91.65 96.36 10.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.096 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -96.46 107.36 35.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.539 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 7.7 Cg_exo -73.01 -21.2 21.0 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.909 2.406 . . . . 0.0 111.948 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.9 -45.16 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.255 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.69 12.07 29.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.918 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 56.98 34.2 24.55 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.984 0.421 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -124.14 118.1 26.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.248 -174.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.584 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 49.6 t -107.08 107.37 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 0.0 109.93 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -93.63 107.87 19.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.284 -175.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -97.97 91.74 5.46 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -94.1 123.59 37.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.691 HH21 HG23 ' A' ' 85' ' ' THR . 21.6 mtm180 -93.06 108.49 20.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.14 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.06 -39.65 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.805 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 38.1 mt-10 -108.07 115.1 29.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.494 176.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.691 HG23 HH21 ' A' ' 82' ' ' ARG . 5.6 m -122.72 5.97 9.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.19 0.519 . . . . 0.0 111.049 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.412 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 70.97 -119.94 8.37 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.012 -0.613 . . . . 0.0 113.101 176.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.412 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 15.9 Cg_exo -68.51 -22.85 38.0 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.087 2.525 . . . . 0.0 112.001 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.644 ' HB2' HG22 ' A' ' 85' ' ' THR . 57.0 m-85 -86.04 128.27 34.83 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.785 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 22.4 tm0? -67.13 -43.16 83.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.679 -172.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 75.9 t80 -148.92 149.34 31.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.401 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 52.7 ttm -152.86 110.79 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.901 0.382 . . . . 0.0 110.377 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 39.0 t-20 -107.15 115.31 29.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.63 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.498 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 16.4 mt -97.93 92.35 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.041 0.448 . . . . 0.0 109.843 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 85.0 t -90.72 110.33 22.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.04 -177.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.69 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.3 m0 -87.96 96.24 10.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -97.25 121.07 38.72 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.088 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -101.08 118.93 37.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.496 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.31 113.65 27.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.176 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -72.59 124.86 26.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.11 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.3 m -124.6 157.26 35.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.35 -23.97 65.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 111.506 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -110.69 15.12 22.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.599 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.77 -169.37 28.6 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.01 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.4 m -110.77 119.92 40.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.601 0.238 . . . . 0.0 110.424 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 67.9 t -92.19 103.46 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 55.2 ttp -90.42 120.87 31.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -104.42 108.97 20.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.829 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.493 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -79.29 83.66 5.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.05 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.559 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 85.5 m -81.26 91.22 6.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.371 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -90.14 100.98 13.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.347 0.594 . . . . 0.0 109.462 176.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -101.76 92.74 4.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.093 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.632 ' CE1' ' HA3' ' A' ' 3' ' ' GLY . 35.8 p90 -111.57 178.39 4.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.724 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -153.66 113.88 3.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.464 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.466 ' HE1' ' HB3' ' A' ' 118' ' ' ALA . 38.2 mtp -92.95 144.13 25.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.958 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.785 ' HD2' ' HG3' ' A' ' 89' ' ' GLN . 93.2 mttt -147.98 -50.91 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.082 -177.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.635 ' HD3' ' HB2' ' A' ' 115' ' ' LYS . 87.7 Cg_exo -50.84 168.72 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 121.779 1.653 . . . . 0.0 112.477 169.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -87.33 34.5 0.69 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.757 -170.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.466 ' HB3' ' HE1' ' A' ' 114' ' ' MET . . . -55.27 147.28 37.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.788 176.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.58 13.36 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.092 2.528 . . . . 0.0 113.883 -174.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.1 m -134.58 150.58 30.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 0.0 109.867 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.667 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 24.4 m-20 -99.18 169.02 9.68 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.385 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.05 -33.23 67.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.12 83.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.355 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.667 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 33.2 m95 -63.89 -35.41 80.57 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.749 0.309 . . . . 0.0 110.53 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 70.0 mtp -66.26 -49.03 68.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.804 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 50.4 m -53.56 -50.1 66.26 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.472 0.482 . . . . 0.0 112.075 -174.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -73.29 -36.55 66.31 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.689 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -66.72 -45.32 79.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.064 0.459 . . . . 0.0 110.007 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.09 -38.99 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.56 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 50.9 t-20 -47.88 -58.1 4.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.103 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -66.53 -47.15 73.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.257 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -60.98 -52.09 66.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.435 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.566 ' O ' ' HG2' ' A' ' 137' ' ' MET . 57.9 m -69.72 -37.13 76.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.79 -174.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 130' ' ' ASN . 88.7 mtt-85 -60.4 -35.0 74.73 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.408 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 26.9 m -66.47 -42.4 87.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.229 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -70.76 -34.52 71.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 133' ' ' SER . 30.4 mmt -61.05 -43.05 99.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.21 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.97 93.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.451 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.64 -51.24 70.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.458 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.19 -42.56 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.839 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.549 ' HG3' HG23 ' A' ' 11' ' ' ILE . 75.7 ttt180 -61.66 -51.5 68.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.952 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -21.52 62.48 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -177.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -86.78 -52.6 5.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.167 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.9 mt -63.67 -45.74 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.589 0.233 . . . . 0.0 111.436 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.8 -33.08 75.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.03 0.443 . . . . 0.0 110.129 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -70.11 -45.7 66.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.114 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.85 83.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.609 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -72.28 -19.88 61.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.4 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -87.1 -23.47 40.94 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.076 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 120.468 0.175 . . . . 0.0 110.643 -179.476 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.6 116.26 4.62 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.383 -174.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -105.82 81.9 1.72 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -101.53 143.16 31.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -132.06 97.51 4.17 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -103.22 106.9 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.546 -173.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -98.5 122.24 41.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.509 HG21 ' HB3' ' A' ' 137' ' ' MET . 7.1 tp -120.94 126.49 75.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.207 0.527 . . . . 0.0 110.22 176.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.544 HG23 HG22 ' A' ' 105' ' ' VAL . 17.7 m -89.47 116.78 27.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.82 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.489 HG23 ' HG3' ' A' ' 141' ' ' ARG . 50.2 mt -111.83 125.85 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . . . -74.67 -13.94 60.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.994 0.426 . . . . 0.0 111.284 -172.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.477 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -60.28 141.38 90.99 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.219 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.0 Cg_endo -59.13 142.74 99.64 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.918 2.412 . . . . 0.0 112.029 177.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 81.1 mtp -54.65 -29.79 53.45 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.895 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -50.61 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.715 0.634 . . . . 0.0 111.298 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.639 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 24.2 tp -66.04 -27.46 68.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.376 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.53 ' HA ' HD11 ' A' ' 144' ' ' ILE . 83.8 t -59.99 -60.99 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -58.19 -39.97 80.31 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 109.833 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.639 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 18.0 m -58.07 -42.81 86.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.324 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' HG13 ' A' ' 144' ' ' ILE . 92.8 mtp -91.14 -33.47 15.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.1 p -69.72 -31.21 69.09 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.471 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 38.8 m-80 -86.56 -15.87 38.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.561 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -79.89 94.38 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.552 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 19.2 pt -75.23 -16.22 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.464 -172.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -81.81 -1.52 47.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.145 0.497 . . . . 0.0 110.382 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -109.6 -3.19 17.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.753 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 20.4 m0 -54.83 -49.83 89.5 Favored Pre-proline 0 CA--C 1.532 0.268 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.78 -23.46 41.76 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.985 1.79 . . . . 0.0 113.153 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.88 -37.29 30.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.348 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -92.33 -46.75 7.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.872 0.368 . . . . 0.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -101.83 102.79 13.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.735 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.7 m -90.91 90.52 7.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.715 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -169.27 -49.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.367 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -72.57 149.69 43.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.077 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.33 -75.15 0.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.429 ' OG ' ' HB ' ' A' ' 53' ' ' THR . 4.6 p -114.89 122.32 45.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.315 0.579 . . . . 0.0 111.577 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG11 ' HB ' ' A' ' 25' ' ' ILE . 66.7 t -98.81 104.51 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.302 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -102.89 127.89 49.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.3 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.509 HG22 HD11 ' A' ' 25' ' ' ILE . 21.9 t -91.44 106.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -79.72 -23.1 42.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.262 0.553 . . . . 0.0 110.085 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.31 172.65 27.84 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -152.03 153.12 33.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.118 0.459 . . . . 0.0 110.594 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -123.72 74.46 1.27 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.594 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.4 t0 57.2 -80.66 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.495 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.74 -29.9 25.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 0.0 110.726 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HG2' HG22 ' A' ' 70' ' ' VAL . 94.0 mttt -88.34 141.04 28.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.988 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.4 p -130.3 116.02 34.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.402 0.62 . . . . 0.0 109.846 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -97.0 97.88 9.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.16 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 50.6 p90 -115.59 151.22 35.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.105 0.478 . . . . 0.0 110.756 -178.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.551 ' HD3' ' HB3' ' A' ' 64' ' ' SER . 32.0 ttm180 -106.87 120.09 41.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.6 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.5 mt -83.82 94.67 8.25 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.429 ' HB ' ' OG ' ' A' ' 37' ' ' SER . 26.5 m -87.33 102.44 14.52 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.552 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 167.99 18.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.328 -176.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -72.62 147.97 89.84 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -43.99 129.73 7.83 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.16 2.573 . . . . 0.0 113.082 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.13 163.02 28.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.162 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.1 -31.68 61.41 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 123.132 0.27 . . . . 0.0 111.309 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.78 -34.53 78.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.411 0.624 . . . . 0.0 110.701 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.23 -13.29 12.49 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.741 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -80.58 164.97 22.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.444 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.57 125.65 68.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.222 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -89.82 111.73 22.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.205 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.551 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 18.0 m -129.4 110.61 12.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.395 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.566 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 48.0 p90 -125.95 140.77 52.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 111.518 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.6 t -85.76 133.16 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.042 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 16.2 m -126.16 128.48 47.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.14 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.01 120.0 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.374 -0.376 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.471 ' NH1' ' HA ' ' A' ' 23' ' ' ASN . 50.0 ttp180 -119.8 133.9 55.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.712 -177.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.456 HG22 ' HG2' ' A' ' 47' ' ' LYS . 41.7 t -119.25 126.24 75.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.25 114.25 26.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.132 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -115.6 110.26 44.87 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.23 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.8 -10.86 20.05 Favored 'Trans proline' 0 CA--C 1.527 0.145 0 C-N-CA 122.84 2.36 . . . . 0.0 113.452 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.2 t -76.56 -55.19 11.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.069 0.462 . . . . 0.0 110.058 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.0 p -82.07 -8.97 59.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.009 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 58.94 38.48 24.34 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.385 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.1 m -126.7 128.24 46.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.487 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.53 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 57.9 t -115.77 112.34 39.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.305 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -96.59 123.74 40.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.421 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.47 100.87 8.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.858 0.361 . . . . 0.0 110.283 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -95.58 124.83 39.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.245 0.545 . . . . 0.0 110.212 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -100.55 111.48 23.73 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.5 t -72.64 -51.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.035 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 36.6 mt-10 -92.09 120.97 33.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.276 177.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 2.9 m -141.17 2.99 1.74 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.022 0.439 . . . . 0.0 111.285 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.68 -116.29 4.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.874 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.68 -10.72 29.71 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.97 2.446 . . . . 0.0 112.666 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.555 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 62.7 m-85 -89.95 140.69 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.842 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -73.13 -44.31 60.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.185 0.517 . . . . 0.0 109.828 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -161.75 149.17 14.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.925 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 51.3 ttm -144.71 112.81 6.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.964 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -105.92 117.59 34.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.004 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.9 108.46 25.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.555 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 41.9 t -100.9 119.2 48.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.784 0.326 . . . . 0.0 111.263 -177.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 34.9 m0 -97.67 98.26 9.72 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -98.02 119.52 36.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.94 0.4 . . . . 0.0 110.174 177.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -95.12 116.98 29.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.88 114.04 27.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.033 0.444 . . . . 0.0 111.163 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.4 111.25 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.252 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.0 m -130.9 154.8 47.72 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.61 -16.21 58.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 110.527 -177.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -86.67 -6.79 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.281 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 12' ' ' ALA . . . 134.84 -169.44 23.23 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.103 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.7 m -84.98 107.58 17.18 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.942 0.401 . . . . 0.0 110.025 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.544 HG22 HG23 ' A' ' 10' ' ' THR . 69.3 t -88.71 103.05 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 35.6 ttp -94.33 122.04 36.47 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.188 0.518 . . . . 0.0 110.011 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -103.78 109.77 21.61 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.826 -175.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -88.38 90.41 8.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.979 0.419 . . . . 0.0 110.555 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.555 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 7.9 m -83.98 102.52 12.51 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.518 175.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -104.92 108.99 20.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.043 0.449 . . . . 0.0 110.254 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -110.2 108.09 18.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.459 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -135.33 162.74 31.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.897 0.38 . . . . 0.0 111.008 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -143.58 137.6 28.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.769 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 21.4 ptm -147.77 157.51 43.57 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.313 0.383 . . . . 0.0 110.246 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.507 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 53.7 mtpt -149.62 -49.9 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.507 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 71.4 Cg_exo -51.73 107.71 0.2 Allowed 'Trans proline' 0 C--N 1.365 1.432 0 C-N-CA 122.381 2.054 . . . . 0.0 113.561 -176.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.472 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 65.9 m-20 57.67 30.94 19.65 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.733 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.93 107.42 22.59 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.379 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 41.9 Cg_endo -92.52 17.05 1.29 Allowed 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 123.123 2.549 . . . . 0.0 111.81 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.501 HG21 ' SD ' ' A' ' 125' ' ' MET . 28.3 m -96.54 130.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.113 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -93.59 66.28 3.81 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.6 t70 61.68 -79.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.1 175.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.94 -13.41 62.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.947 -172.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -61.38 -45.53 93.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.277 0.56 . . . . 0.0 109.584 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 120' ' ' VAL . 80.5 mtp -79.58 -35.71 39.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.366 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.5 m -57.14 -41.33 78.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.5 -43.43 63.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 109.884 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -59.3 -41.48 89.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.769 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 125' ' ' MET . 61.5 mt -60.74 -46.72 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.713 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -53.54 -45.53 69.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -66.72 -60.21 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.9 -48.64 80.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.935 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 137' ' ' MET . 60.6 m -66.31 -38.61 88.1 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -59.82 -42.2 92.99 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.373 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.7 m -68.15 -41.9 80.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.966 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 140' ' ' ILE . 59.5 tp60 -68.14 -43.45 78.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.804 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 133' ' ' SER . 80.5 mmm -67.7 -33.82 75.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.339 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.99 93.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.31 -50.17 74.07 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.114 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.439 HD12 ' SD ' ' A' ' 137' ' ' MET . 68.3 mt -58.75 -47.44 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.44 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.489 ' HG3' HG23 ' A' ' 11' ' ' ILE . 49.1 ttt180 -57.05 -51.0 71.03 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.42 -29.66 64.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.986 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -82.26 -50.49 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.7 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.53 HD11 ' HA ' ' A' ' 18' ' ' VAL . 16.5 tt -71.69 -33.77 49.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 111.495 -175.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -73.03 -33.63 65.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 150' ' ' GLU . 39.1 tt0 -62.13 -48.72 78.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.191 171.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.63 73.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.244 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.16 94.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.704 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -71.57 -20.78 78.67 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.167 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 146' ' ' GLN . 47.2 mt-10 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.038 0.447 . . . . 0.0 110.207 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.922 0.391 . . . . 0.0 110.126 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.15 107.12 3.29 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.974 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -92.15 92.15 8.1 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -113.88 136.04 53.31 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -168.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.84 102.64 9.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.826 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.607 ' ND2' ' HB2' ' A' ' 133' ' ' SER . 14.1 t-20 -96.2 120.61 36.81 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 17.5 mt-10 -118.34 149.77 40.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.606 -168.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 138' ' ' ALA . 19.2 tt -154.14 135.45 5.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.788 169.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 27.2 m -86.2 122.15 29.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.585 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 mt -108.01 123.33 63.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.179 0.514 . . . . 0.0 110.596 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.14 64.68 8.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.38 0.609 . . . . 0.0 110.301 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.9 149.51 36.15 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.986 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.12 146.86 95.26 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.587 2.191 . . . . 0.0 111.814 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.7 mtp -62.12 -26.11 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.299 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -55.49 -68.75 0.17 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.242 0.339 . . . . 0.0 110.471 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.429 HD11 ' HB3' ' A' ' 147' ' ' ALA . 2.4 tm? -51.55 -43.8 62.49 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.154 0.581 . . . . 0.0 111.282 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.54 -54.82 27.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 120.832 0.348 . . . . 0.0 111.426 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -61.35 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.527 0.68 . . . . 0.0 109.667 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -59.01 -42.38 89.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.614 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.632 ' HG2' HG12 ' A' ' 144' ' ' ILE . 8.2 tpt -63.91 -37.73 88.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.907 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.7 p -84.96 -17.48 37.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.839 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.445 ' ND2' HH22 ' A' ' 69' ' ' ARG . 10.9 m-80 -73.11 -43.54 61.56 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.896 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.929 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 76.5 m-20 -77.53 82.86 3.95 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 173.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.553 HD11 HG22 ' A' ' 40' ' ' VAL . 19.2 pt -64.75 -11.88 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.14 -175.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -82.66 4.31 25.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.726 0.298 . . . . 0.0 111.044 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.929 ' HE2' ' HB2' ' A' ' 24' ' ' ASP . 50.1 mttm -85.22 -21.6 29.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.202 0.525 . . . . 0.0 109.64 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.525 ' HB2' HG21 ' A' ' 38' ' ' VAL . 49.7 m0 -56.97 -44.58 99.84 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.783 -176.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 49.3 Cg_exo -57.95 -25.4 69.84 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.876 1.717 . . . . 0.0 112.568 175.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.71 -38.11 21.19 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.872 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.6 ' HG ' ' HG3' ' A' ' 143' ' ' ARG . 11.0 mp -79.9 -56.33 4.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.802 0.334 . . . . 0.0 110.785 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -76.23 168.87 19.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.732 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.1 m -115.54 -39.35 3.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.4 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.55 -31.39 68.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.595 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -76.69 122.4 24.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.84 -29.34 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.481 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -163.34 143.31 8.78 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.978 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.525 HG21 ' HB2' ' A' ' 28' ' ' TRP . 99.3 t -109.88 92.0 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.13 113.87 25.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.082 -169.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.553 HG22 HD11 ' A' ' 25' ' ' ILE . 34.4 t -71.72 119.6 18.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.251 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 51' ' ' ARG . 91.4 mt -90.1 -24.02 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.003 0.43 . . . . 0.0 110.524 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.96 169.48 31.51 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.014 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -140.96 150.25 42.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.917 0.389 . . . . 0.0 110.789 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 32.2 t70 -143.15 56.69 1.39 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.354 177.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t70 59.96 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.201 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -68.93 -29.63 67.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.085 0.469 . . . . 0.0 110.332 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 44' ' ' ASP . 52.8 mttm -103.48 137.93 40.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.268 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 69' ' ' ARG . 5.8 p -133.75 109.43 13.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.554 0.692 . . . . 0.0 109.355 167.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 m -91.83 122.87 34.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.404 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -129.5 149.4 51.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.28 0.562 . . . . 0.0 111.12 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HB2' HD11 ' A' ' 41' ' ' LEU . 41.6 ttt180 -101.33 118.77 37.65 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.827 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.524 ' O ' ' HA ' ' A' ' 64' ' ' SER . 22.7 mt -86.7 100.86 12.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.227 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 m -99.15 114.51 27.3 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.735 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.4 mtp -97.07 -177.51 3.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.164 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -77.28 147.22 75.76 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.16 138.64 86.99 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.6 2.2 . . . . 0.0 111.766 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -76.21 -175.21 3.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.58 -29.84 70.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.662 0.267 . . . . 0.0 111.711 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -78.35 -25.33 46.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.994 0.426 . . . . 0.0 110.454 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.98 -6.26 13.39 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.779 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -72.67 124.41 25.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.832 0.349 . . . . 0.0 110.771 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.1 t -87.77 103.96 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -71.77 128.29 35.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.429 0.633 . . . . 0.0 111.621 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 24.0 m -146.06 142.74 28.87 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.999 178.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.2 p90 -147.59 162.87 38.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.925 0.393 . . . . 0.0 110.949 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -98.75 127.91 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.696 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -132.46 154.63 49.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.395 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -120.1 124.96 47.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.202 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.594 ' HB3' HG13 ' A' ' 48' ' ' VAL . 51.2 ttt-85 -102.22 120.14 39.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.005 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.0 t -110.82 130.04 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.06 112.14 24.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.738 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -107.73 99.4 29.45 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.746 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.3 -19.38 19.75 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.147 2.565 . . . . 0.0 112.699 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.22 -44.98 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.221 0.534 . . . . 0.0 110.094 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m -89.09 -5.49 57.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.419 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 58.9 46.4 13.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.773 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.431 ' CG2' HG13 ' A' ' 94' ' ' VAL . 90.7 m -131.38 131.26 43.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.626 -173.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 76.2 t -102.62 102.42 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 169.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -92.13 112.26 24.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.545 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.29 103.43 12.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.43 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -101.21 141.5 33.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HD2' ' SD ' ' A' ' 91' ' ' MET . 12.2 ttt-85 -83.8 107.04 15.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.31 -44.51 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.266 0.555 . . . . 0.0 110.523 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -100.41 141.24 33.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 65.9 p -96.81 -168.88 1.78 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.969 0.414 . . . . 0.0 111.073 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -177.95 -113.22 0.35 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.71 -18.1 42.31 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.599 2.2 . . . . 0.0 110.829 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -105.31 147.22 28.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.807 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -88.26 -35.47 17.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.824 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.457 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 89.3 t80 -148.59 126.56 11.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.67 -175.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.539 ' SD ' ' HD2' ' A' ' 82' ' ' ARG . 79.3 mtp -133.48 105.77 7.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -122.21 101.97 7.85 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.535 HG12 ' HG3' ' A' ' 110' ' ' GLN . 15.0 mt -94.95 104.87 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.236 0.541 . . . . 0.0 109.964 -177.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.594 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 95.1 t -93.95 103.67 14.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.887 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.585 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 12.7 m0 -86.97 97.56 10.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.906 178.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.486 ' HG3' HG12 ' A' ' 94' ' ' VAL . 43.9 mt-10 -95.7 136.59 35.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.824 0.345 . . . . 0.0 110.763 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.541 ' HE2' HG23 ' A' ' 78' ' ' VAL . 63.8 m-85 -114.53 115.58 27.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.482 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.17 139.33 40.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.397 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.83 99.56 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.598 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 m -113.32 156.77 22.79 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.757 0.313 . . . . 0.0 110.2 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.85 6.81 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.987 0.422 . . . . 0.0 111.632 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -114.0 -2.52 13.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.939 176.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.6 -169.28 20.82 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.853 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 m -84.47 106.56 16.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 94.1 t -83.76 116.57 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.882 0.372 . . . . 0.0 110.341 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 51.5 ttp -97.05 122.19 39.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.704 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.444 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 17.8 mtm180 -115.1 117.69 31.26 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.084 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -86.81 88.49 7.69 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.594 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 76.6 m -81.52 88.06 6.2 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.332 176.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.535 ' HG3' HG12 ' A' ' 93' ' ' ILE . 53.1 tt0 -92.07 102.29 14.83 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.674 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -89.74 94.27 9.77 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.531 ' HD1' ' HG2' ' A' ' 110' ' ' GLN . 52.3 p90 -116.38 121.86 43.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.781 0.801 . . . . 0.0 111.443 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -97.97 125.25 42.82 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.858 174.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 86.7 mmm -83.93 148.63 26.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.515 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.45 ' HB3' ' OD2' ' A' ' 117' ' ' ASP . 3.5 mmmp? -74.78 131.95 78.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 50.3 Cg_exo -56.75 -5.01 1.02 Allowed 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 123.601 2.868 . . . . 0.0 113.159 177.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' A' ' 115' ' ' LYS . 8.2 m-20 -70.7 -28.43 64.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.118 175.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.486 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -95.57 139.9 22.13 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.132 -176.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 3.2 Cg_endo -87.01 21.7 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.604 2.869 . . . . 0.0 113.033 -177.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.0 m -92.3 121.91 43.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.256 0.551 . . . . 0.0 110.033 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -100.85 76.95 1.82 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.478 -169.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 60.35 -79.17 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 O-C-N 124.046 0.841 . . . . 0.0 112.017 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.46 ' HA ' ' HB ' ' A' ' 126' ' ' THR . . . -59.03 -23.97 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.374 -173.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -56.15 -58.47 7.78 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.374 0.607 . . . . 0.0 109.586 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.634 ' O ' HG12 ' A' ' 129' ' ' ILE . 96.4 mmm -69.52 -42.38 74.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.394 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.46 ' HB ' ' HA ' ' A' ' 123' ' ' ALA . 94.1 m -55.84 -42.97 76.56 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.08 -35.63 74.33 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.584 -0.446 . . . . 0.0 109.958 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -62.2 -37.24 84.54 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.288 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.634 HG12 ' O ' ' A' ' 125' ' ' MET . 46.3 mm -54.35 -53.82 26.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -52.12 -56.47 14.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.01 -62.1 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.937 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -63.2 -56.0 20.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.648 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.607 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 16.6 m -62.53 -49.57 74.79 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.648 -174.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -64.95 -33.44 76.03 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.386 -172.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.7 m -61.26 -47.82 84.29 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.359 0.6 . . . . 0.0 110.152 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.415 ' O ' HG13 ' A' ' 140' ' ' ILE . 98.0 mt-30 -69.06 -36.15 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.964 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.502 ' HG3' ' O ' ' A' ' 133' ' ' SER . 90.5 mtp -66.79 -33.22 75.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.401 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . . . -61.7 -41.76 98.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.9 tt -63.65 -40.48 96.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.064 175.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 136' ' ' GLN . 83.8 mt -66.63 -41.71 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.804 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 141' ' ' ARG . 6.3 tmm_? -58.95 -41.57 87.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.984 177.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.96 -47.48 84.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.569 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.6 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 18.9 mmt180 -62.41 -40.71 97.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.695 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.632 HG12 ' HG2' ' A' ' 21' ' ' MET . 37.6 mt -67.13 -41.66 87.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.544 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.11 -33.45 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 110.202 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -58.86 -54.46 46.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.065 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.429 ' HB3' HD11 ' A' ' 17' ' ' LEU . . . -66.37 -33.09 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.387 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.57 -34.13 69.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.991 0.424 . . . . 0.0 110.793 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -66.22 -24.63 72.07 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.527 173.78 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.27 176.53 19.3 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.89 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.671 ' HB3' ' HA ' ' A' ' 111' ' ' ASP . 2.0 p-80 -151.28 133.8 15.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.045 0.45 . . . . 0.0 111.063 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.454 ' OG1' ' HA ' ' A' ' 126' ' ' THR . 7.2 m -106.03 119.59 39.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.376 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.19 98.52 10.52 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -101.7 96.75 7.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.603 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 0.7 OUTLIER -104.45 151.21 23.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.852 0.358 . . . . 0.0 111.226 -176.12 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.552 HG21 ' HB3' ' A' ' 137' ' ' MET . 13.5 tt -151.65 137.19 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.711 173.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.2 m -85.18 116.82 23.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.908 0.385 . . . . 0.0 110.768 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.542 HG22 ' H ' ' A' ' 13' ' ' ALA . 35.6 mt -105.26 130.51 56.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.4 59.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.006 0.431 . . . . 0.0 111.659 -173.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.542 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -71.48 141.64 85.67 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.545 ' HB2' HD13 ' A' ' 17' ' ' LEU . 46.6 Cg_exo -57.23 149.27 65.18 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.945 2.43 . . . . 0.0 112.399 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mtp -59.49 -41.81 90.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.535 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.527 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 1.6 pm0 -69.44 -30.95 68.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.033 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 14' ' ' PRO . 11.2 mp -73.65 -38.86 64.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.46 . . . . 0.0 109.798 176.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.456 ' HA ' HD11 ' A' ' 144' ' ' ILE . 70.7 t -63.69 -40.69 89.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.895 173.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.427 ' HD1' HD21 ' A' ' 23' ' ' ASN . 17.8 t-105 -64.44 -50.94 65.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.929 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.448 HG22 ' HA ' ' A' ' 17' ' ' LEU . 15.3 t -64.64 -31.25 72.39 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.708 0.29 . . . . 0.0 111.053 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.2 mmm -72.11 -37.22 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.663 0.268 . . . . 0.0 111.218 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -82.36 -15.77 51.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.588 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.427 HD21 ' HD1' ' A' ' 19' ' ' TRP . 97.8 m-20 -74.45 -34.39 63.17 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 110.55 176.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -87.56 84.23 7.15 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.603 HD11 HG22 ' A' ' 40' ' ' VAL . 32.5 pt -71.33 -8.98 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.587 -171.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -73.29 -6.65 47.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.764 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -97.94 -10.72 24.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.53 ' HB2' HG21 ' A' ' 38' ' ' VAL . 37.2 m0 -55.39 -46.82 99.64 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 47.5 Cg_exo -57.83 -19.78 40.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.281 1.988 . . . . 0.0 113.099 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.83 -18.83 57.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.303 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.499 ' HG ' ' CB ' ' A' ' 143' ' ' ARG . 10.1 mp -104.58 -53.8 2.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.085 0.469 . . . . 0.0 110.357 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 34' ' ' GLU . 6.0 t80 -93.47 99.4 11.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.6 m -68.51 -2.66 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -171.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 7.7 mm-40 -84.14 -19.82 33.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.987 0.422 . . . . 0.0 110.85 178.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -87.49 132.92 33.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.221 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.14 -49.48 6.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.9 p -148.43 115.84 6.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.877 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.53 HG21 ' HB2' ' A' ' 28' ' ' TRP . 91.3 t -90.22 104.53 15.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 173.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -108.55 129.45 55.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.203 -168.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.603 HG22 HD11 ' A' ' 25' ' ' ILE . 38.1 t -76.97 118.52 23.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.857 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.6 tp -84.49 -39.08 19.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.0 156.27 15.44 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.658 ' HB3' HG23 ' A' ' 48' ' ' VAL . 20.3 ptt180 -151.0 141.17 22.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.773 0.787 . . . . 0.0 112.12 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -117.46 58.07 0.8 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.941 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 61.82 -83.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.925 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.98 -31.14 58.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.323 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -108.97 108.67 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.713 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.658 HG23 ' HB3' ' A' ' 43' ' ' ARG . 4.2 p -125.92 122.3 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 111.699 -175.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 m -95.37 116.64 29.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.517 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -121.88 143.33 49.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.607 0.718 . . . . 0.0 111.803 -174.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -97.49 113.42 25.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.745 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 64' ' ' SER . 55.2 mt -90.98 99.0 12.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.513 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.0 m -91.78 109.0 20.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.513 174.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.8 mmm -81.65 172.92 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.427 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -67.24 133.64 93.37 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 175.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.48 119.23 4.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.998 2.466 . . . . 0.0 111.885 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -75.45 168.09 20.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.142 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.8 -20.1 65.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.963 0.411 . . . . 0.0 111.027 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.29 -23.97 64.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.524 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.84 -26.31 24.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.946 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -70.73 125.38 26.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.993 0.425 . . . . 0.0 110.22 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.77 113.16 19.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.635 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -78.58 109.35 12.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.115 0.484 . . . . 0.0 110.51 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 22.8 t -135.53 123.18 22.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.545 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -131.28 155.25 47.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.114 0.483 . . . . 0.0 111.177 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -94.33 127.48 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.775 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.401 ' HA ' ' H ' ' A' ' 83' ' ' VAL . 19.8 m -133.19 162.16 32.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -131.05 132.51 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.165 0.507 . . . . 0.0 110.999 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -108.85 112.7 25.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.364 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.47 116.46 38.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.34 130.16 56.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.818 0.342 . . . . 0.0 111.702 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -103.12 101.56 22.64 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.49 -34.22 76.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.746 2.298 . . . . 0.0 112.315 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.1 t -75.39 -51.65 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.85 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 m -73.23 -19.88 60.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.053 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 61.74 48.7 5.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.634 0.73 . . . . 0.0 109.928 -177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -137.75 139.33 40.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.886 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 45.8 t -123.42 136.12 61.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.906 0.384 . . . . 0.0 110.969 -178.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -117.14 107.17 14.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.52 94.35 5.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.18 0.514 . . . . 0.0 110.153 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -100.19 137.21 38.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.445 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -84.85 112.54 20.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.825 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.401 ' H ' ' HA ' ' A' ' 67' ' ' SER . 25.7 t -56.81 -42.18 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.937 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -107.19 115.29 29.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.487 174.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.481 HG22 ' HB2' ' A' ' 91' ' ' MET . 10.3 p -83.85 -41.1 17.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.928 -175.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.417 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 84.76 -118.39 4.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.074 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.417 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 6.7 Cg_exo -74.25 -7.82 20.17 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.166 2.578 . . . . 0.0 112.396 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -93.44 162.99 13.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -95.84 -36.56 11.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -146.34 139.1 25.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.964 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.481 ' HB2' HG22 ' A' ' 85' ' ' THR . 70.7 mmm -140.23 104.1 4.74 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.694 0.283 . . . . 0.0 111.061 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -133.12 109.74 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.239 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 110' ' ' GLN . 16.4 mt -101.44 104.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.927 0.394 . . . . 0.0 110.18 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.1 t -89.72 115.05 28.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.673 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.585 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 25.4 m0 -95.63 94.13 7.55 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.551 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 46.1 mt-10 -88.77 116.11 26.8 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.956 0.407 . . . . 0.0 110.095 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -93.55 118.9 31.94 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.541 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.61 117.61 34.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.127 0.489 . . . . 0.0 111.03 -173.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.66 97.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.46 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.0 m -115.81 153.78 30.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.863 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.94 -21.6 64.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.81 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -91.79 -6.02 52.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.01 -169.13 24.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.32 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -89.4 107.97 19.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.658 0.266 . . . . 0.0 110.565 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 86.0 t -82.84 107.61 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 53.4 ttp -90.51 117.0 28.86 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.927 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.603 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 37.0 mtp85 -107.49 110.96 23.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.031 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -97.78 92.14 5.71 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.0 m -95.7 100.51 12.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.138 0.494 . . . . 0.0 110.187 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.569 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 51.7 tt0 -89.98 106.1 18.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.331 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.671 ' HA ' ' HB3' ' A' ' 4' ' ' HIS . 20.2 t70 -93.12 114.31 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.643 ' HE2' ' HA ' ' A' ' 122' ' ' ASP . 37.8 p90 -133.5 135.42 44.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.267 0.556 . . . . 0.0 111.065 -174.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -105.43 125.52 51.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.91 176.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 62.0 mtp -127.65 171.79 11.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.109 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.653 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 51.4 tttm 176.77 -45.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.734 -176.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 1.7 Cg_endo -43.88 171.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.365 1.438 0 C-N-CA 123.327 2.685 . . . . 0.0 114.049 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -70.93 17.6 0.07 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.367 -1.288 . . . . 0.0 113.181 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -65.37 128.16 93.55 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 26.9 Cg_exo -63.02 -16.5 54.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.055 2.504 . . . . 0.0 113.279 -175.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.623 HG12 ' HD1' ' A' ' 124' ' ' TRP . 16.1 m -91.69 126.28 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.222 0.534 . . . . 0.0 110.472 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.35 168.24 12.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.643 ' HA ' ' HE2' ' A' ' 112' ' ' PHE . 4.9 p-10 -59.02 -34.86 72.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.932 0.396 . . . . 0.0 110.088 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.41 80.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.623 ' HD1' HG12 ' A' ' 120' ' ' VAL . 19.8 t-105 -69.78 -39.57 76.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.749 0.309 . . . . 0.0 110.502 -176.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.519 ' O ' HG13 ' A' ' 129' ' ' ILE . 35.2 mtp -69.05 -27.33 65.55 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.82 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.454 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 84.5 m -60.72 -44.66 96.34 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.33 -39.52 94.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.73 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -61.58 -44.79 96.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.721 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 125' ' ' MET . 79.7 mt -62.94 -40.46 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.632 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -52.75 -62.01 1.92 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -58.56 -67.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.316 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -66.07 -52.57 47.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.007 -170.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.68 ' O ' ' HG2' ' A' ' 137' ' ' MET . 24.2 m -62.93 -40.62 98.18 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.605 -174.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -68.12 -32.87 73.47 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.548 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 62.1 m -65.75 -40.59 92.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.476 ' O ' HG13 ' A' ' 140' ' ' ILE . 83.4 mm-40 -63.87 -37.6 87.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.499 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.68 ' HG2' ' O ' ' A' ' 133' ' ' SER . 18.7 mmt -61.26 -39.21 89.51 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.754 178.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.95 81.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.061 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.1 tp -71.64 -46.64 58.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.785 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 144' ' ' ILE . 75.2 mt -61.63 -49.56 83.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.64 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.405 ' HA ' HG22 ' A' ' 144' ' ' ILE . 79.6 ttt180 -57.54 -45.11 85.46 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -53.12 -38.25 62.49 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.589 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.499 ' CB ' ' HG ' ' A' ' 31' ' ' LEU . 6.7 mmp_? -86.32 -51.03 6.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.802 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 140' ' ' ILE . 15.8 tt -69.43 -37.09 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -171.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -73.23 -29.46 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.159 0.504 . . . . 0.0 109.898 -177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -70.44 -50.84 34.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.996 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.71 97.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.578 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -82.68 -6.95 59.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.927 0.394 . . . . 0.0 111.267 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -91.43 -46.89 3.65 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 173.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.533 177.003 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.975 0.416 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.54 152.37 16.92 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -121.91 111.29 16.9 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -105.58 111.55 24.29 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -94.67 87.73 5.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.4 . . . . 0.0 110.899 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.438 HD21 HG22 ' A' ' 129' ' ' ILE . 85.9 m-20 -82.93 93.38 7.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.066 177.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.418 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 40.7 mt-10 -104.87 131.7 52.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.426 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.497 HD11 ' HD2' ' A' ' 141' ' ' ARG . 17.2 tt -140.22 132.89 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 0.0 110.523 176.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 m -85.78 107.63 17.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.563 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 13' ' ' ALA . 53.0 mt -90.0 133.95 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.53 17.75 1.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.839 0.352 . . . . 0.0 111.895 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -107.52 149.86 39.37 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HB2' HD13 ' A' ' 17' ' ' LEU . 39.4 Cg_exo -57.27 140.53 93.19 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.846 2.364 . . . . 0.0 112.372 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 73.9 mtp -53.96 -39.0 65.56 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.519 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -59.97 -42.85 95.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.361 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.617 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.4 mp -75.91 -36.03 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 -178.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.73 -47.74 88.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.281 173.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.483 ' O ' ' HB3' ' A' ' 23' ' ' ASN . 11.2 t-105 -63.94 -54.13 39.44 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.617 HG22 ' HA ' ' A' ' 17' ' ' LEU . 11.0 t -59.23 -33.76 71.39 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -174.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.8 mmm -76.52 -43.24 40.17 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.461 0.172 . . . . 0.0 111.44 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.2 p -77.97 -18.12 56.37 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.338 0.59 . . . . 0.0 110.678 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.512 ' HA ' HH22 ' A' ' 69' ' ' ARG . 0.0 OUTLIER -72.8 -33.8 66.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.525 174.717 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -81.76 93.61 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.257 0.551 . . . . 0.0 109.724 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.631 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 15.8 pt -70.43 -15.39 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.789 -174.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -77.43 -0.95 27.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.984 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -119.21 5.45 11.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.377 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.631 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 43.4 m0 -61.62 -46.81 93.75 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.994 176.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 31.3 Cg_exo -61.12 -14.24 32.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.302 2.001 . . . . 0.0 112.512 177.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.91 -32.25 53.75 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.752 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mp -98.32 -46.28 5.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.402 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -98.21 106.93 19.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.573 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m -79.25 8.91 5.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -86.73 -6.9 58.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.675 0.274 . . . . 0.0 111.205 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -124.19 147.38 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.964 0.411 . . . . 0.0 110.741 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.442 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . . . -92.09 -42.44 9.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.582 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.7 t -152.06 153.93 34.94 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.546 -177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG11 ' HB ' ' A' ' 25' ' ' ILE . 69.3 t -115.91 116.62 52.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.754 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 33.5 tt0 -93.67 108.38 20.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.425 -173.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 25' ' ' ILE . 22.1 t -78.49 100.25 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.919 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.429 HD12 HG22 ' A' ' 49' ' ' THR . 92.7 mt -70.63 -42.15 71.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.131 0.491 . . . . 0.0 110.076 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.69 168.37 19.28 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.191 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 79.0 mtt180 -94.65 122.13 36.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.895 0.379 . . . . 0.0 110.087 177.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -93.62 84.6 4.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.6 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 68.03 -79.08 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.603 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -121.57 -6.17 9.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.672 0.749 . . . . 0.0 109.654 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.689 ' HG2' HG22 ' A' ' 70' ' ' VAL . 27.2 mttp -99.62 173.02 6.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.544 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 5.2 p -138.15 122.95 22.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.084 0.469 . . . . 0.0 110.05 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.519 HG23 ' HG2' ' A' ' 68' ' ' GLU . 16.6 m -93.65 116.06 28.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.296 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 67' ' ' SER . 13.3 p90 -119.07 133.59 55.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.754 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 45.7 ttt180 -110.43 99.33 8.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.937 -176.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 65' ' ' TRP . 5.4 mp -73.86 119.04 17.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.933 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 m -100.38 116.86 33.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.626 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 63.0 mtt -86.47 -179.91 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.655 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.442 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 47.3 m80 -80.66 137.47 51.12 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.526 ' HB3' HG22 ' A' ' 62' ' ' VAL . 9.7 Cg_endo -53.15 109.44 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.042 2.495 . . . . 0.0 111.746 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.06 157.91 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.559 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.45 -19.34 63.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.804 0.335 . . . . 0.0 110.944 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.68 -9.98 59.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.461 0.648 . . . . 0.0 110.37 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.55 29.39 24.42 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.652 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -120.43 118.89 31.47 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.743 0.306 . . . . 0.0 110.377 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.526 HG22 ' HB3' ' A' ' 56' ' ' PRO . 43.9 t -84.87 105.59 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -75.96 128.05 34.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.304 0.573 . . . . 0.0 111.163 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 p -126.86 131.95 51.06 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.494 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.515 ' HB3' ' HB2' ' A' ' 52' ' ' LEU . 9.4 t90 -111.41 119.43 38.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.505 HG22 ' HG3' ' A' ' 51' ' ' ARG . 48.8 t -104.22 110.53 30.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.136 0.493 . . . . 0.0 110.062 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.475 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 23.1 t -127.06 148.87 50.12 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.519 ' HG2' HG23 ' A' ' 49' ' ' THR . 40.5 mt-10 -121.93 126.79 49.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 79' ' ' ARG . 30.5 ptt180 -124.33 142.84 50.95 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.335 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.689 HG22 ' HG2' ' A' ' 47' ' ' LYS . 32.9 t -105.5 114.29 44.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.513 175.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.457 ' HA ' HG22 ' A' ' 78' ' ' VAL . . . -99.82 101.7 12.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.742 0.306 . . . . 0.0 110.56 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 24.5 t70 -99.57 112.16 62.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.267 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 7.7 Cg_exo -73.28 -19.34 22.49 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 123.114 2.543 . . . . 0.0 112.664 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.0 t -70.48 -53.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.076 0.465 . . . . 0.0 110.804 -176.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.7 p -92.35 -7.6 47.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.588 ' HB3' ' HB2' ' A' ' 97' ' ' TYR . 47.5 mtm-85 56.03 49.97 14.67 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.918 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.0 m -130.99 123.07 27.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.114 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 48.7 t -108.78 123.71 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.239 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.615 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 79.7 mtt-85 -105.09 106.47 16.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.47 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.14 105.45 15.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -90.85 130.3 36.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.318 0.58 . . . . 0.0 110.409 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.498 ' HD3' ' SD ' ' A' ' 91' ' ' MET . 34.4 ttt180 -95.7 123.73 39.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.2 t -80.27 -57.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.646 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -58.83 121.87 12.18 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.739 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.606 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 18.9 p -83.51 -85.66 0.12 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.644 -177.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.46 -121.39 6.08 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.64 -20.78 19.92 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.444 2.096 . . . . 0.0 111.493 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.606 ' O ' ' HB ' ' A' ' 85' ' ' THR . 88.5 m-85 -98.12 155.66 17.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.155 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -100.32 -27.56 13.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.405 0.621 . . . . 0.0 109.86 175.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.748 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 54.6 t80 -151.78 135.65 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.142 -173.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.498 ' SD ' ' HD3' ' A' ' 82' ' ' ARG . 67.6 mtp -148.28 109.29 4.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 111.438 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -118.37 116.54 26.95 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.3 mt -102.43 113.36 38.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.036 0.446 . . . . 0.0 110.406 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.49 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 54.8 t -100.27 111.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.737 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.563 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 48.7 m0 -96.87 106.77 19.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.168 177.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 77.1 mt-10 -102.85 129.88 49.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.904 0.383 . . . . 0.0 110.31 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.588 ' HB2' ' HB3' ' A' ' 76' ' ' ARG . 15.4 m-85 -102.44 111.62 23.99 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.74 135.13 47.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.173 0.511 . . . . 0.0 111.297 -173.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.59 126.64 31.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.967 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 m -147.27 156.74 43.2 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.07 -23.5 55.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.05 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -79.75 -25.94 40.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.187 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.01 -169.28 33.61 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.736 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.1 m -85.69 113.19 21.7 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.669 0.271 . . . . 0.0 110.479 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.494 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -89.74 105.36 16.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 37.6 ttp -98.13 123.79 42.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.0 110.126 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.57 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 36.6 ttm-85 -102.72 117.45 34.68 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.354 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -102.76 90.69 3.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.49 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 22.0 m -88.62 106.26 18.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.19 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.52 104.16 16.31 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.334 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -85.9 96.2 9.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 39.7 p90 -117.93 138.76 51.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.897 0.379 . . . . 0.0 110.64 -176.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.748 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -124.38 136.09 53.81 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.95 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.8 mtp -97.38 -167.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.475 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 59.5 tttp -170.04 -55.82 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.475 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 30.8 Cg_endo -64.21 -13.12 36.09 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 122.025 1.817 . . . . 0.0 113.875 -175.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 69.94 78.75 0.19 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.609 0.719 . . . . 0.0 110.699 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.89 159.35 60.49 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.836 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.85 -33.59 61.86 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.669 2.246 . . . . 0.0 111.679 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.3 m -82.44 116.77 27.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.793 173.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -75.24 167.94 20.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.538 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.54 -40.9 69.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.542 0.687 . . . . 0.0 109.277 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.52 81.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.32 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -70.47 -36.99 74.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 28.7 mtp -66.92 -35.51 80.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.052 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 84.8 m -57.05 -47.92 79.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.608 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.24 -44.15 84.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.994 0.426 . . . . 0.0 110.683 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -57.53 -46.87 83.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.632 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.438 HG22 HD21 ' A' ' 7' ' ' ASN . 86.0 mt -61.96 -48.04 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.598 177.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.52 -47.39 82.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.203 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -63.55 -51.77 63.97 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.981 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.72 -44.38 93.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.771 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' ' 137' ' ' MET . 23.0 t -66.02 -42.42 89.68 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.645 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -55.47 -38.48 69.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.435 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.3 m -66.82 -50.27 63.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.861 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.05 -40.91 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.741 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 133' ' ' SER . 96.4 mmm -64.88 -31.09 72.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.627 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.7 93.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 109.993 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.73 -47.57 83.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.29 175.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.68 -46.3 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.546 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.497 ' HD2' HD11 ' A' ' 9' ' ' ILE . 49.7 ttt-85 -53.97 -51.53 63.58 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.444 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 33.7 t70 -58.14 -50.03 74.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.248 -177.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -70.66 -27.96 64.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.579 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 14.3 mm -65.54 -42.97 94.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 141' ' ' ARG . 45.9 mt-10 -62.06 -40.9 97.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 176.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 96.2 mt-30 -64.6 -50.98 65.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.34 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.68 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.311 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.536 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -71.62 -28.06 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.728 0.299 . . . . 0.0 110.775 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -75.33 -42.19 28.76 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.629 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.514 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 112' ' ' PHE . . . -109.89 105.15 1.96 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.833 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -94.52 91.72 6.75 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.568 HG23 HG23 ' A' ' 126' ' ' THR . 6.2 m -106.1 112.61 25.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -173.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -96.6 103.72 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.795 0.331 . . . . 0.0 110.345 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 32.7 m-80 -97.09 98.64 10.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -178.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -100.9 143.05 31.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.995 0.426 . . . . 0.0 111.219 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 137' ' ' MET . 12.5 tt -159.96 132.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.373 175.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.0 m -86.5 101.97 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.289 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.491 HD13 HD12 ' A' ' 144' ' ' ILE . 66.8 mt -79.32 132.55 31.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.76 52.9 1.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.981 0.42 . . . . 0.0 112.009 -173.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.49 148.25 36.43 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.875 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.32 144.33 99.5 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.832 2.355 . . . . 0.0 112.082 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.493 ' HG2' HG23 ' A' ' 104' ' ' THR . 83.2 mtp -54.84 -39.16 68.29 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.615 -175.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -57.79 -45.21 86.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.324 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 148' ' ' ALA . 9.6 mp -78.1 -34.47 50.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.548 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.39 -43.93 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.346 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -65.26 -49.86 67.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.699 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 17' ' ' LEU . 12.4 t -64.43 -22.3 66.92 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.027 0.442 . . . . 0.0 111.149 -177.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.6 mmm -84.39 -43.3 14.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.947 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.639 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 32.8 p -90.17 -21.95 21.95 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -172.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.582 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 63.6 t30 -79.25 -30.16 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.339 . . . . 0.0 110.525 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -74.32 106.32 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.586 HD11 HG22 ' A' ' 40' ' ' VAL . 24.9 pt -66.26 -18.61 24.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.919 -173.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -85.86 -1.17 57.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.832 0.349 . . . . 0.0 111.179 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -95.26 -13.81 24.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.398 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.502 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 48.3 m0 -57.38 -48.1 97.89 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.486 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 31.4 Cg_exo -60.04 -22.8 70.9 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.106 1.87 . . . . 0.0 112.74 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.53 -20.89 67.92 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.015 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.742 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 10.1 mp -103.34 -58.64 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.142 0.496 . . . . 0.0 110.198 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -91.31 104.49 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.682 -178.685 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -80.09 18.29 0.87 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.155 -173.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -95.65 -20.74 18.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.165 0.507 . . . . 0.0 110.577 176.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.475 ' CD1' HD21 ' A' ' 52' ' ' LEU . 10.0 m-30 -88.07 135.3 33.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -178.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.84 -59.72 2.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.238 0.542 . . . . 0.0 109.725 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 p -147.3 122.88 10.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.513 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG11 ' HB ' ' A' ' 25' ' ' ILE . 78.2 t -87.39 107.12 16.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 174.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 34.3 tt0 -96.8 119.34 35.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.513 -170.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 25' ' ' ILE . 21.5 t -70.2 104.82 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.868 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 tp -78.3 -34.1 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.012 0.434 . . . . 0.0 110.055 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.23 156.32 8.81 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.158 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.498 ' HG2' HG23 ' A' ' 48' ' ' VAL . 49.6 mtt180 -109.7 156.05 20.75 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.91 158.6 44.01 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.83 -28.68 61.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.831 0.348 . . . . 0.0 111.321 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -106.61 -18.71 13.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.863 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.846 ' HG2' HG22 ' A' ' 70' ' ' VAL . 60.7 mttp -144.28 168.17 20.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.396 0.617 . . . . 0.0 112.225 -169.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.498 HG23 ' HG2' ' A' ' 43' ' ' ARG . 5.6 p -134.91 116.78 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 169.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 m -97.9 120.64 38.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.055 -173.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 67' ' ' SER . 53.6 p90 -115.5 140.72 48.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.372 0.606 . . . . 0.0 110.7 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 36.8 ttt180 -103.39 98.03 7.99 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 174.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 35' ' ' TYR . 5.1 tt -81.78 108.07 15.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.755 -173.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 94.5 m -86.42 102.59 14.19 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.384 175.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.512 ' HB3' ' HB2' ' A' ' 63' ' ' TRP . 10.2 tpt -75.17 137.71 41.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 175.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -58.26 140.32 83.54 Favored Pre-proline 0 C--N 1.331 -0.206 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.989 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.597 ' HB3' HG22 ' A' ' 62' ' ' VAL . 19.5 Cg_endo -58.25 139.44 90.53 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 123.237 2.624 . . . . 0.0 112.955 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.566 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 24.6 t70 -69.59 162.81 26.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.558 174.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.46 -19.88 62.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.771 0.319 . . . . 0.0 111.211 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.52 -30.76 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.19 0.519 . . . . 0.0 110.342 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.65 35.06 3.14 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.397 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 47.2 mmtm -114.24 117.12 30.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.722 -0.281 . . . . 0.0 110.652 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.597 HG22 ' HB3' ' A' ' 56' ' ' PRO . 38.5 t -90.95 130.42 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 57' ' ' ASP . 4.8 m0 -112.07 87.07 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.784 -174.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 35.0 m -97.21 110.49 23.03 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.893 175.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.434 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 3.2 p90 -116.44 142.21 47.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.199 0.523 . . . . 0.0 111.26 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.5 t -88.75 129.37 39.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.805 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 15.2 m -135.03 146.27 48.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.001 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -106.53 119.78 40.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.056 0.455 . . . . 0.0 110.772 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.582 ' NH2' ' HA ' ' A' ' 23' ' ' ASN . 25.7 ttt85 -107.4 117.85 35.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.887 -176.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.846 HG22 ' HG2' ' A' ' 47' ' ' LYS . 27.0 t -101.31 97.66 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.3 112.88 26.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 29.8 t70 -122.31 118.08 29.03 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.874 0.369 . . . . 0.0 110.574 176.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 8.9 Cg_exo -72.26 -24.78 19.41 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.321 2.681 . . . . 0.0 112.881 -177.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.6 -52.26 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.942 0.401 . . . . 0.0 110.448 -177.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 p -76.69 -17.56 59.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.687 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.509 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 95.0 mtt180 65.94 38.63 4.88 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.64 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.4 m -141.17 131.86 25.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.844 -178.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.602 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 50.3 t -115.43 115.81 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.6 mtt85 -101.52 104.15 15.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . . . -108.2 104.7 14.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.847 0.356 . . . . 0.0 110.371 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -100.98 134.95 43.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.279 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 ttp85 -102.58 115.14 29.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.99 0.424 . . . . 0.0 110.044 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.6 t -79.16 -36.64 18.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.724 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 22.5 mt-10 -95.82 97.43 9.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.755 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.6 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 5.1 p -95.15 -34.76 12.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.689 -171.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.464 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 78.5 -111.42 3.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.015 -177.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.464 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 16.7 Cg_exo -69.1 -21.84 35.97 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.741 2.294 . . . . 0.0 112.237 177.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.6 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 26.6 m-85 -82.98 155.03 24.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -87.03 -41.44 13.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.784 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -159.31 154.48 25.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.398 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 45.9 ttm -156.8 124.35 5.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.97 0.414 . . . . 0.0 111.115 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -134.92 133.19 39.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.425 HG23 ' HG2' ' A' ' 110' ' ' GLN . 17.8 mt -116.83 118.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 110.814 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.554 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 60.4 t -103.87 111.36 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.639 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.8 m0 -90.41 104.65 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.4 tt0 -98.87 124.83 44.04 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -105.21 118.66 37.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.438 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.64 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.06 150.93 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.509 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 29.5 tt0 -97.63 127.78 43.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.105 0.479 . . . . 0.0 112.132 -168.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.75 150.7 43.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.131 170.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.43 -21.8 55.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.083 0.468 . . . . 0.0 110.755 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -95.49 3.2 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.161 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.66 -169.16 33.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.699 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.493 HG23 ' HG2' ' A' ' 15' ' ' MET . 29.3 m -115.78 122.41 45.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.644 0.259 . . . . 0.0 110.333 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.64 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 56.4 t -89.4 93.94 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 41.5 ttp -101.6 129.98 47.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.226 0.536 . . . . 0.0 110.801 -174.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.54 ' HB2' ' HB3' ' A' ' 96' ' ' GLU . 97.6 mtt180 -108.07 112.85 25.61 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.005 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 16.3 m0 -87.42 84.97 7.1 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 173.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.554 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 11.9 m -78.25 94.81 4.85 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.821 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.425 ' HG2' HG23 ' A' ' 93' ' ' ILE . 96.2 mt-30 -94.44 107.47 19.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.031 -177.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -104.79 103.74 13.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.555 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CZ ' ' HA3' ' A' ' 3' ' ' GLY . 53.2 p90 -119.38 154.86 32.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.478 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -124.4 124.58 42.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.003 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.4 mtp -130.46 156.39 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.147 177.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 28.1 ttpp 177.44 -47.79 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.541 -173.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 43.0 Cg_endo -69.31 116.88 4.73 Favored 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 121.94 1.76 . . . . 0.0 113.137 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.9 t70 76.39 -27.0 0.18 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.706 0.802 . . . . 0.0 112.563 168.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.5 129.37 51.38 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.83 -173.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -89.94 25.3 0.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.221 2.614 . . . . 0.0 112.224 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.8 m -83.89 125.63 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.917 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -84.83 31.57 0.54 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.713 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 67.69 -69.35 0.14 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.559 0.744 . . . . 0.0 110.934 -178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.61 -25.24 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.372 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 -59.94 -44.29 94.46 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.225 0.536 . . . . 0.0 109.989 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.419 ' O ' HG13 ' A' ' 129' ' ' ILE . 85.7 mtp -72.87 -40.44 65.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.224 178.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.568 HG23 HG23 ' A' ' 5' ' ' THR . 84.8 m -53.83 -42.74 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.446 0.467 . . . . 0.0 111.384 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.16 -44.45 72.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.678 0.275 . . . . 0.0 111.033 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.16 -40.68 96.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.274 177.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 125' ' ' MET . 64.5 mt -60.98 -46.65 96.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.863 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -51.41 -48.34 62.66 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.021 0.438 . . . . 0.0 111.002 177.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -69.13 -46.05 68.61 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.074 0.464 . . . . 0.0 110.921 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -67.5 -44.14 79.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.191 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 99.8 p -67.78 -44.33 77.67 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.573 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -54.56 -43.65 72.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.2 0.524 . . . . 0.0 110.099 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.5 m -69.54 -47.06 64.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.209 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 32' ' ' PHE . 8.8 tp-100 -70.83 -42.42 70.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.715 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.482 ' HB3' HG21 ' A' ' 9' ' ' ILE . 95.2 mmm -66.58 -28.56 68.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.23 99.72 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 171.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 59.7 tp -63.81 -47.89 79.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.386 176.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.536 HG23 HD23 ' A' ' 31' ' ' LEU . 73.7 mt -60.34 -41.58 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 177.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -57.26 -48.2 79.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.537 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.4 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.566 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.742 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 15.2 tpt180 -65.9 -44.98 83.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.238 -177.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.491 HD12 HD13 ' A' ' 11' ' ' ILE . 51.0 mt -65.81 -41.53 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.445 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.85 -38.08 81.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.046 0.45 . . . . 0.0 110.076 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -62.78 -46.6 87.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.28 176.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.09 82.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.557 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -72.36 -14.85 61.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.672 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -89.09 -31.14 12.38 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 120.911 0.386 . . . . 0.0 109.972 174.499 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.514 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.812 0.339 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.28 152.38 34.22 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -138.31 112.86 8.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.09 0.472 . . . . 0.0 111.348 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.538 HG21 ' HB ' ' A' ' 129' ' ' ILE . 25.6 m -123.52 112.42 17.46 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.272 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -108.06 114.08 27.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.11 0.481 . . . . 0.0 110.414 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -108.1 108.39 19.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.159 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -91.27 118.75 30.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.665 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.0 tt -126.93 123.38 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.388 0.613 . . . . 0.0 110.676 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 19.1 m -86.44 117.71 25.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.155 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.456 HD13 HD12 ' A' ' 144' ' ' ILE . 56.9 mt -98.24 125.18 51.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 120.821 0.343 . . . . 0.0 110.387 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.12 79.36 9.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.466 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.23 151.7 11.86 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.699 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 18' ' ' VAL . 51.9 Cg_exo -56.49 135.18 68.87 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.861 2.374 . . . . 0.0 112.054 177.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.624 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 86.0 mtp -55.54 -32.75 63.23 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.052 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -51.9 -48.56 64.09 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.384 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.738 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.1 mp -85.2 -32.94 22.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.423 -176.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 14' ' ' PRO . 90.0 t -55.92 -48.14 78.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.758 0.313 . . . . 0.0 110.182 177.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -69.14 -44.79 71.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.42 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 17' ' ' LEU . 1.3 t -67.49 -22.89 65.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.722 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.3 mmm -82.27 -40.82 21.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.638 0.256 . . . . 0.0 111.126 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.2 p -79.08 -35.39 42.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.845 0.355 . . . . 0.0 111.245 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -68.6 -34.74 76.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -76.75 90.17 3.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.156 0.503 . . . . 0.0 109.777 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.61 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 27.0 pt -72.45 -16.74 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.339 -175.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.04 -9.99 59.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.49 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -107.36 -0.68 22.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.596 -178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 43.4 m0 -62.16 -37.76 40.92 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.38 -29.25 47.38 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.575 1.517 . . . . 0.0 112.345 172.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.42 22.85 29.9 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.513 HD11 HG23 ' A' ' 140' ' ' ILE . 31.9 tp -130.67 -42.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.34 0.591 . . . . 0.0 109.483 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.64 -174.51 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.825 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.4 m -120.6 -39.76 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.607 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -86.77 -27.27 23.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 111.616 -175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.47 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 67.6 m-85 -88.85 108.64 19.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.064 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.34 -32.74 19.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.912 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.406 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 11.5 t -138.33 142.35 39.72 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.276 0.56 . . . . 0.0 110.592 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' ' 28' ' ' TRP . 86.5 t -118.15 96.91 4.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.634 176.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -94.55 101.32 13.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.601 -172.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -72.78 107.93 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.91 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 mt -71.55 -32.6 68.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.899 0.857 . . . . 0.0 109.06 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.41 166.04 32.44 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.314 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.542 ' HB3' HG23 ' A' ' 48' ' ' VAL . 21.0 ptt180 -153.42 136.25 15.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 117.861 0.83 . . . . 0.0 111.795 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.603 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 5.1 m-20 -94.59 173.8 7.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.104 176.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.38 -34.66 48.91 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.376 0.423 . . . . 0.0 112.084 -175.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 5.7 p-10 -131.09 5.99 4.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.611 0.243 . . . . 0.0 111.536 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 60.1 mttp -132.04 97.23 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 111.154 -173.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 43' ' ' ARG . 7.0 p -95.45 124.34 48.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.114 0.483 . . . . 0.0 111.035 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.401 HG23 ' HG2' ' A' ' 68' ' ' GLU . 7.1 m -104.02 100.91 10.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.035 178.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -118.49 153.22 34.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.556 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -111.7 120.96 43.78 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.869 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.637 ' O ' ' HA ' ' A' ' 64' ' ' SER . 77.7 mt -87.81 108.47 19.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.746 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.406 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 40.2 m -97.9 117.52 32.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.64 -176.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 58.2 mtt -94.21 -161.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.636 173.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -101.64 159.57 29.04 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.517 ' HG3' HG22 ' A' ' 62' ' ' VAL . 64.8 Cg_exo -52.28 116.1 2.61 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 177.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.38 -173.67 3.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.005 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.82 71.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.917 0.389 . . . . 0.0 111.59 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.01 -6.36 48.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.55 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.72 1.16 89.14 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -77.99 125.64 29.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.105 -0.547 . . . . 0.0 110.587 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.517 HG22 ' HG3' ' A' ' 56' ' ' PRO . 40.1 t -86.52 99.73 8.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 171.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.444 ' HE3' ' CZ3' ' A' ' 65' ' ' TRP . 11.7 m95 -70.55 97.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.671 0.748 . . . . 0.0 111.264 -173.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.637 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 34.5 t -128.32 101.62 6.31 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.902 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.508 ' HA ' ' OE2' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -107.32 136.63 46.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.465 0.65 . . . . 0.0 112.289 -174.393 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.76 126.22 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.445 175.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -133.38 131.71 40.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.373 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.401 ' HG2' HG23 ' A' ' 49' ' ' THR . 48.5 mt-10 -102.59 126.49 49.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.761 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -121.84 122.38 39.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.935 0.398 . . . . 0.0 111.146 -176.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.536 HG22 ' HG2' ' A' ' 47' ' ' LYS . 62.0 t -100.84 114.62 40.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.7 176.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.85 102.26 11.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.199 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 20.5 t70 -103.25 107.54 55.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.131 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 13.4 Cg_exo -70.43 -21.35 30.5 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.266 2.644 . . . . 0.0 112.773 -177.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.22 -54.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.974 0.416 . . . . 0.0 110.417 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.1 p -79.68 -12.19 59.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.759 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 61.06 33.56 19.54 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.375 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.7 m -124.39 122.55 38.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.385 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.1 t -110.33 116.56 52.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.127 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -105.41 115.69 30.68 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.882 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.21 106.26 16.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.187 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -100.66 127.15 47.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -89.63 114.42 26.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.851 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.7 t -75.87 -43.86 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.713 -175.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.508 ' OE2' ' HA ' ' A' ' 65' ' ' TRP . 38.2 mt-10 -80.01 96.07 6.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.434 0.635 . . . . 0.0 109.469 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 12.8 p -89.65 -67.92 0.81 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.345 -170.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.439 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 103.45 -104.28 2.48 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.439 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 6.3 Cg_exo -73.94 -30.3 9.29 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.69 2.26 . . . . 0.0 111.0 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 82.3 m-85 -70.94 148.89 47.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.228 -178.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -89.99 -44.47 9.84 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 92' ' ' ASN . 67.6 t80 -145.17 140.8 28.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.971 176.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.532 ' SD ' ' HB3' ' A' ' 112' ' ' PHE . 14.5 tpt -140.11 104.28 4.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.571 0.224 . . . . 0.0 110.744 -177.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' HB2' ' CZ ' ' A' ' 90' ' ' TYR . 53.1 t30 -125.16 114.21 18.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.955 0.407 . . . . 0.0 110.911 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 mt -93.63 112.67 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.775 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.2 t -98.99 115.24 39.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.841 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.439 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 43.6 m0 -96.15 111.39 23.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.787 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -109.62 119.89 40.8 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.662 0.268 . . . . 0.0 110.518 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.78 128.28 45.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.948 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.76 149.33 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.339 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.624 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 41.4 mt-10 -85.03 121.86 28.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.977 178.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.2 m -145.02 157.45 44.12 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.69 -25.56 62.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.781 0.324 . . . . 0.0 111.522 -173.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -77.15 -14.53 59.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.969 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.24 -169.26 24.32 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.9 m -80.92 111.86 17.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.805 0.336 . . . . 0.0 110.298 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 81.7 t -83.45 112.23 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.507 ' HE2' ' HB3' ' A' ' 106' ' ' MET . 42.7 ttp -107.65 122.18 46.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.031 0.443 . . . . 0.0 110.428 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -91.39 119.38 31.34 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.929 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -92.57 85.78 5.4 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 15.0 m -96.27 107.31 19.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.357 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -91.77 112.17 23.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.016 0.436 . . . . 0.0 110.416 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -98.55 99.28 10.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.322 -0.854 . . . . 0.0 108.751 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.532 ' HB3' ' SD ' ' A' ' 91' ' ' MET . 33.1 p90 -126.87 118.13 23.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.594 0.711 . . . . 0.0 111.755 -174.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.514 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -89.69 125.95 35.46 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 53.3 ttp -170.9 150.32 3.14 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.648 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 37.7 tttp -156.81 -50.05 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 123.326 0.391 . . . . 0.0 110.894 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 31.1 Cg_exo -64.5 139.66 65.55 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.069 1.846 . . . . 0.0 112.116 175.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 38.9 t70 75.73 -19.15 0.42 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.669 0.788 . . . . 0.0 111.503 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -103.53 107.42 56.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.848 0.356 . . . . 0.0 110.98 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -86.15 32.45 0.46 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.56 2.84 . . . . 0.0 111.772 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.527 HG12 ' HD1' ' A' ' 124' ' ' TRP . 33.0 m -94.11 170.63 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.596 -173.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -125.08 35.51 4.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.129 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.3 t70 68.29 -67.78 0.19 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.135 -0.938 . . . . 0.0 111.267 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.404 ' HA ' ' HB ' ' A' ' 126' ' ' THR . . . -61.71 -22.16 65.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.876 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.527 ' HD1' HG12 ' A' ' 120' ' ' VAL . 73.1 t-105 -63.9 -41.86 97.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.357 0.598 . . . . 0.0 109.428 175.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.445 ' SD ' HG21 ' A' ' 120' ' ' VAL . 95.2 mtp -79.39 -36.65 38.83 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.911 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' ' 130' ' ' ASN . 31.5 m -53.83 -46.87 71.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.443 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 13.5 t70 -66.79 -52.19 46.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.752 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -58.79 -51.99 67.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.092 0.472 . . . . 0.0 111.275 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.538 ' HB ' HG21 ' A' ' 5' ' ' THR . 89.9 mt -66.55 -32.03 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.233 -176.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 126' ' ' THR . 18.2 t-20 -58.57 -44.15 89.64 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 44.8 mtt-85 -72.46 -46.61 54.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.231 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -57.04 -57.56 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.329 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.4 m -65.2 -36.04 82.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.139 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 134' ' ' ARG . 13.0 ttm180 -64.23 -46.69 82.71 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.048 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.9 m -62.83 -45.73 91.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.967 0.413 . . . . 0.0 110.281 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -60.02 -50.81 72.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.022 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.511 ' SD ' HD12 ' A' ' 140' ' ' ILE . 88.5 mmm -76.79 -14.03 59.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.266 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.85 -40.0 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.5 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 52.4 tp -63.04 -45.16 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.545 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.513 HG23 HD11 ' A' ' 31' ' ' LEU . 51.5 mt -64.06 -42.28 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.717 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -44.82 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 174.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -65.27 -43.17 92.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 3.0 mmp_? -61.64 -41.39 97.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.85 178.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.456 HD12 HD13 ' A' ' 11' ' ' ILE . 60.9 mt -67.39 -43.31 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.71 -42.24 98.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 110.086 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.69 -43.44 80.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.556 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.96 -40.84 68.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.175 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.455 ' HA ' HD22 ' A' ' 17' ' ' LEU . . . -71.17 -23.42 62.05 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -81.83 -37.63 15.87 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.447 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 0.0 110.894 179.526 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 112' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.732 0.301 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -116.38 144.1 18.3 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.824 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -104.55 82.0 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 m -83.96 114.89 22.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.397 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -113.78 90.24 3.29 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.42 104.61 16.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.66 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 25.0 mt-10 -95.4 155.99 16.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.088 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 tt -158.09 140.25 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.007 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 m -96.79 113.93 25.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.53 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.532 HG22 ' H ' ' A' ' 13' ' ' ALA . 53.3 mt -98.93 129.65 48.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.84 -13.46 58.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.935 0.398 . . . . 0.0 111.375 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -67.52 150.94 97.6 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.203 178.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.31 153.14 79.2 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.758 2.305 . . . . 0.0 112.773 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 83.9 mmm -50.97 -37.22 43.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.128 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.35 -76.9 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.186 0 O-C-N 123.589 0.556 . . . . 0.0 111.673 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.443 HD12 ' H ' ' A' ' 17' ' ' LEU . 7.3 mp -51.87 -42.83 62.96 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 122.6 0.36 . . . . 0.0 111.918 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -53.48 -55.5 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 O-C-N 123.057 0.223 . . . . 0.0 111.423 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.455 ' CH2' ' HA ' ' A' ' 76' ' ' ARG . 9.9 t-105 -69.45 -47.3 64.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.7 m -51.68 -53.06 43.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.458 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 mtt -75.32 -48.51 22.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.719 0.295 . . . . 0.0 111.729 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -69.03 -27.23 65.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.409 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 28.7 m-80 -90.85 -9.39 46.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -176.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -96.14 111.46 23.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 171.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.586 HD11 HG22 ' A' ' 40' ' ' VAL . 25.7 pt -72.11 -9.01 12.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.691 -168.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.39 -3.04 58.08 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.16 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HB3' HD13 ' A' ' 31' ' ' LEU . 10.1 mptt -106.45 3.94 27.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.968 0.413 . . . . 0.0 110.327 175.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.524 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 35.5 m0 -64.53 -51.08 62.06 Favored Pre-proline 0 C--O 1.218 -0.59 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.267 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 9.5 Cg_endo -54.33 -31.88 69.39 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.855 1.703 . . . . 0.0 112.96 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.07 -53.46 4.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.522 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' A' ' 27' ' ' LYS . 11.1 mp -73.39 -55.11 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.401 . . . . 0.0 111.035 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.48 ' CD2' HD11 ' A' ' 140' ' ' ILE . 2.0 t80 -93.13 87.45 5.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -78.51 85.47 4.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.285 0.564 . . . . 0.0 110.403 -174.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -163.9 -43.81 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.389 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.487 ' HD1' ' SD ' ' A' ' 54' ' ' MET . 27.5 m-85 -73.88 141.79 46.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.845 177.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.33 -67.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.903 0.382 . . . . 0.0 111.056 -178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.57 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 17.8 m -121.74 109.38 14.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.018 0.437 . . . . 0.0 110.833 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.507 HG11 ' HB ' ' A' ' 25' ' ' ILE . 49.0 t -92.83 103.8 15.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.642 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 6.2 mm-40 -98.73 139.59 34.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.597 -172.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 25' ' ' ILE . 24.0 t -90.6 112.8 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.835 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.441 HD12 HG22 ' A' ' 49' ' ' THR . 83.7 mt -90.18 -29.39 18.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.997 0.427 . . . . 0.0 110.628 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.73 156.31 12.53 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.563 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -125.59 106.14 9.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.91 0.355 . . . . 0.0 110.5 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -107.36 157.5 17.91 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -45.46 -45.65 13.15 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.04 0.837 . . . . 0.0 112.168 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -116.87 6.33 13.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.671 -177.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -145.42 95.1 2.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.697 0.284 . . . . 0.0 111.596 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.816 HG13 ' HB3' ' A' ' 69' ' ' ARG . 3.5 p -95.95 96.29 5.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.806 0.812 . . . . 0.0 108.971 171.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.441 HG22 HD12 ' A' ' 41' ' ' LEU . 14.0 m -79.33 123.81 27.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.781 -175.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.449 ' CE1' ' HG ' ' A' ' 52' ' ' LEU . 55.1 p90 -124.81 155.91 38.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.136 0.493 . . . . 0.0 111.12 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.642 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 41.4 ttt180 -113.68 112.11 22.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.915 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' HG ' ' CE1' ' A' ' 50' ' ' PHE . 28.7 mt -86.99 100.54 12.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.236 0.541 . . . . 0.0 110.444 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.57 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 29.4 m -97.12 114.8 26.51 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.119 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.487 ' SD ' ' HD1' ' A' ' 35' ' ' TYR . 90.3 mmm -87.31 167.49 14.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -57.32 134.99 81.38 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.496 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.92 118.34 4.67 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 123.015 2.476 . . . . 0.0 111.634 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -57.37 149.3 20.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.311 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.35 -26.45 60.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.86 -10.03 59.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.995 0.426 . . . . 0.0 110.877 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.04 40.48 4.58 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.466 176.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -125.37 124.48 41.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.4 t -91.16 107.77 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.873 0.368 . . . . 0.0 110.245 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.561 ' HE3' ' HZ3' ' A' ' 65' ' ' TRP . 11.6 m95 -75.44 101.6 4.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.424 0.63 . . . . 0.0 110.7 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 m -126.0 114.86 19.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.199 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.561 ' HZ3' ' HE3' ' A' ' 63' ' ' TRP . 9.9 p90 -115.04 135.84 53.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.284 0.564 . . . . 0.0 110.929 177.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.8 t -89.38 134.4 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.205 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 33.5 t -138.63 139.25 38.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.94 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.407 ' HG2' HG23 ' A' ' 49' ' ' THR . 35.8 mt-10 -103.26 123.19 46.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.816 ' HB3' HG13 ' A' ' 48' ' ' VAL . 67.5 ttt180 -103.42 123.72 47.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.177 -172.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -106.84 103.05 14.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.222 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.69 107.12 18.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.689 0.281 . . . . 0.0 110.412 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 14.5 t70 -102.6 105.23 43.11 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.805 177.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 10.2 Cg_exo -71.67 -22.6 23.9 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 123.158 2.572 . . . . 0.0 112.661 -176.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.43 -49.55 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.176 0.512 . . . . 0.0 110.826 -176.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 m -88.55 -4.67 58.55 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.517 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 3.1 mpt_? 57.03 42.01 26.68 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.444 0.64 . . . . 0.0 110.077 -175.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 94.3 m -124.74 121.12 33.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.584 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.579 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 22.5 t -107.44 100.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.262 0.553 . . . . 0.0 109.586 176.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -92.32 111.28 22.79 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.67 -174.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.96 112.43 24.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.909 0.385 . . . . 0.0 110.831 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -103.97 128.26 51.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.248 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -89.24 109.18 20.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.2 t -63.46 -42.5 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.369 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -76.55 111.62 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.35 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.8 p -95.83 -74.86 0.54 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.019 -172.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.6 -128.79 8.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.788 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.99 -36.64 81.84 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.534 2.156 . . . . 0.0 111.557 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -87.66 92.87 9.26 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.299 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.02 -29.77 70.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.289 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.708 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 36.0 t80 -132.33 121.7 23.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.317 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 82.4 mmm -129.94 96.4 4.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -123.6 105.3 9.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.752 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.517 HG12 ' HG3' ' A' ' 110' ' ' GLN . 9.5 mt -105.46 107.41 22.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.142 0.496 . . . . 0.0 110.384 -176.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.567 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 93.8 t -94.67 108.97 21.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.913 -178.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.579 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 20.8 m0 -90.46 105.7 18.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.646 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.1 tt0 -102.66 136.87 41.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.607 -176.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -120.11 128.7 53.7 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -124.2 126.13 45.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.764 0.316 . . . . 0.0 111.396 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.54 109.18 4.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.958 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 m -120.62 157.75 28.86 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.04 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 111.191 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -76.64 -36.79 57.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.421 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 162.9 -169.32 38.06 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.703 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 86.2 m -81.69 109.47 16.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.948 0.404 . . . . 0.0 110.628 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.7 t -84.66 121.1 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.492 ' HA ' ' O ' ' A' ' 96' ' ' GLU . 52.9 ttp -111.03 129.22 55.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.751 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.66 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 50.4 mtt-85 -100.85 126.85 47.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.984 175.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -98.87 83.92 3.01 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 166.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.567 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 8.9 m -88.16 92.47 9.16 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.269 -177.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.517 ' HG3' HG12 ' A' ' 93' ' ' ILE . 53.4 tt0 -96.95 101.04 12.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.031 0.443 . . . . 0.0 110.608 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.4 95.92 8.91 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 172.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 25.6 p90 -109.53 134.66 51.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.328 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.708 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -124.39 103.96 8.5 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.581 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 19.6 ptm -116.14 147.01 41.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.989 0.423 . . . . 0.0 110.662 -176.184 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.748 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 87.9 tttt -157.18 -54.93 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.361 -173.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 24.9 Cg_exo -63.19 115.86 3.24 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.78 1.653 . . . . 0.0 111.954 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 64.29 28.41 13.83 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.273 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.24 104.61 30.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -82.84 -3.82 11.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.712 2.274 . . . . 0.0 112.187 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.5 HG21 ' HG2' ' A' ' 125' ' ' MET . 29.1 m -79.59 146.76 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.393 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.84 44.93 1.13 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.995 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.6 t70 69.94 -68.73 0.19 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.192 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.86 -21.35 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.771 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.416 ' HB3' ' HB ' ' A' ' 120' ' ' VAL . 74.9 t-105 -64.08 -43.81 94.3 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.888 0.375 . . . . 0.0 110.183 178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.581 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 90.5 mmm -74.74 -29.89 61.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.4 m -53.97 -53.42 53.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.324 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.55 -33.86 67.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.44 179.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -61.06 -48.34 82.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.425 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.62 -41.55 93.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.441 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -53.26 -52.91 57.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.117 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -64.58 -47.97 76.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.246 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' A' ' 136' ' ' GLN . 8.8 t30 -59.06 -58.07 10.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.564 ' O ' ' HG2' ' A' ' 137' ' ' MET . 31.4 m -64.77 -37.67 88.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -175.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -54.49 -48.68 71.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.928 0.395 . . . . 0.0 110.36 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 25.7 m -62.86 -40.4 97.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 132' ' ' ASN . 9.9 mm100 -70.12 -36.24 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 133' ' ' SER . 27.1 mmt -63.63 -48.18 78.34 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.557 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.54 83.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.324 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 2.1 tm? -61.44 -49.66 75.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.906 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.48 HD11 ' CD2' ' A' ' 32' ' ' PHE . 70.3 mt -63.1 -47.61 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.212 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.52 ' HG3' HG12 ' A' ' 11' ' ' ILE . 62.6 ttp85 -56.13 -45.43 79.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.961 0.41 . . . . 0.0 110.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.495 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 35.7 t70 -58.21 -51.99 67.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.536 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 25.7 mmt85 -57.28 -48.67 78.31 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.612 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 50.3 mt -66.15 -43.33 92.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.317 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.82 -21.95 58.99 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.522 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 96.5 mt-30 -69.54 -32.86 71.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 170.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.16 -45.1 20.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.807 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.24 -26.72 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.541 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -80.42 -27.86 50.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.144 -0.55 . . . . 0.0 111.957 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.305 0.574 . . . . 0.0 109.735 176.849 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 112' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.575 0.226 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.446 ' CA ' ' HB3' ' A' ' 122' ' ' ASP . . . -74.44 125.49 8.69 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.038 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -124.93 102.09 7.37 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.182 0.515 . . . . 0.0 110.335 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.457 ' OG1' ' HA ' ' A' ' 126' ' ' THR . 24.3 m -99.26 125.88 44.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.08 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.446 ' CG ' HH21 ' A' ' 107' ' ' ARG . 23.2 t0 -123.48 97.99 5.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -105.17 109.05 20.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.339 -177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.602 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 29.7 mt-10 -100.29 127.42 46.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.01 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 mm -121.39 116.12 48.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.141 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.3 m -80.79 103.64 10.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.016 0.436 . . . . 0.0 110.62 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.477 HG12 ' HG3' ' A' ' 141' ' ' ARG . 45.7 mt -97.12 128.97 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.68 35.56 0.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.176 0.513 . . . . 0.0 110.949 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.87 147.98 42.32 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.344 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.435 ' O ' HG23 ' A' ' 18' ' ' VAL . 52.5 Cg_exo -53.97 130.65 40.41 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 123.103 2.535 . . . . 0.0 112.46 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.413 ' HE2' ' HB3' ' A' ' 97' ' ' TYR . 51.0 ttm -55.51 -32.32 62.79 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.394 -178.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.18 -45.87 86.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -75.36 -41.84 55.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.123 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.445 HG22 HG21 ' A' ' 144' ' ' ILE . 59.3 t -55.46 -46.18 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -65.5 -48.11 73.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.5 t -69.2 -33.91 74.07 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.185 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.6 mtt -73.62 -31.06 63.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.633 0.254 . . . . 0.0 111.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.1 p -89.92 -11.83 40.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.058 0.456 . . . . 0.0 110.709 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.06 -41.18 74.49 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.925 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.439 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 15.4 t0 -73.76 101.73 3.78 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.932 178.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.572 HD11 HG22 ' A' ' 40' ' ' VAL . 42.6 pt -75.43 -12.25 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.416 -176.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -85.64 -1.28 56.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.409 0.623 . . . . 0.0 109.863 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.439 ' HD2' ' HB3' ' A' ' 24' ' ' ASP . 49.6 mttp -101.48 -9.73 20.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.343 175.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.53 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 44.5 m0 -56.69 -49.26 94.71 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.381 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.8 Cg_endo -60.06 -14.91 30.7 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.08 1.853 . . . . 0.0 112.585 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.57 -40.53 5.33 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.1 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.534 HD23 HG23 ' A' ' 140' ' ' ILE . 10.8 mp -85.4 -48.71 8.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 111.038 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.03 111.95 20.78 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -89.02 -11.22 44.83 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -77.15 -20.17 55.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.08 0.467 . . . . 0.0 110.563 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -105.27 160.07 15.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.12 -54.91 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.515 -176.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 68.5 m -147.31 150.95 35.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.936 0.398 . . . . 0.0 111.325 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.436 HG21 ' HB2' ' A' ' 28' ' ' TRP . 74.5 t -123.77 107.19 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.407 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -98.01 132.67 43.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.758 -175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.572 HG22 HD11 ' A' ' 25' ' ' ILE . 54.0 t -77.44 111.78 14.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.8 tp -80.12 -34.07 38.15 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.46 156.26 15.75 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.624 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -122.47 85.34 2.4 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -90.37 100.99 13.73 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.551 -171.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 65.89 -83.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.775 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -129.94 -3.03 4.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HG2' HG22 ' A' ' 70' ' ' VAL . 97.2 mttt -88.02 127.37 35.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.321 177.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.456 HG11 HH21 ' A' ' 69' ' ' ARG . 6.1 p -108.8 104.28 16.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.819 0.819 . . . . 0.0 110.024 176.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.463 HG23 ' HG2' ' A' ' 68' ' ' GLU . 38.2 m -92.41 118.24 30.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.031 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.482 ' HB3' HD12 ' A' ' 25' ' ' ILE . 50.8 p90 -113.93 142.29 46.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.495 0.664 . . . . 0.0 111.009 -177.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -105.42 101.58 11.1 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.371 175.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.516 ' O ' ' HA ' ' A' ' 64' ' ' SER . 3.4 tt -82.65 116.06 21.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.551 -174.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.1 m -100.71 108.64 20.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.436 0.636 . . . . 0.0 110.366 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.512 ' HB3' ' HB2' ' A' ' 63' ' ' TRP . 16.4 ttt -98.94 167.76 10.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -62.57 131.85 94.23 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.719 0.295 . . . . 0.0 111.583 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.42 ' HB3' HG22 ' A' ' 62' ' ' VAL . 26.6 Cg_endo -62.96 146.28 94.75 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.936 2.424 . . . . 0.0 111.954 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -90.42 -170.63 2.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.22 -19.66 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 111.061 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.51 -25.37 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.289 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.61 -1.21 87.11 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 -170.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -73.89 109.3 7.28 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.399 -0.9 . . . . 0.0 109.53 176.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' A' ' 56' ' ' PRO . 56.0 t -74.96 120.68 24.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 65' ' ' TRP . 49.3 m0 -76.48 83.93 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.991 0.424 . . . . 0.0 110.247 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 11.3 t -121.0 110.51 16.36 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.519 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 63' ' ' TRP . 2.7 p90 -119.5 147.95 43.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.429 -175.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.15 128.02 42.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.341 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 14.7 m -134.81 138.55 44.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.788 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.463 ' HG2' HG23 ' A' ' 49' ' ' THR . 57.6 mt-10 -107.36 128.91 54.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.456 HH21 HG11 ' A' ' 48' ' ' VAL . 29.6 ttp180 -119.58 125.06 47.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.86 0.362 . . . . 0.0 111.179 -176.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.488 HG22 ' HG2' ' A' ' 47' ' ' LYS . 29.3 t -115.62 117.78 56.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB2' HG13 ' A' ' 78' ' ' VAL . . . -119.36 102.89 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.183 -175.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 3.7 p-10 -97.22 121.48 58.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.402 0.62 . . . . 0.0 109.906 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 10.0 Cg_exo -73.05 -8.53 22.32 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.107 2.538 . . . . 0.0 111.789 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.39 -56.34 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.391 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.67 -6.47 46.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.59 -177.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HB3' ' HB2' ' A' ' 97' ' ' TYR . 9.8 mpt_? 62.93 46.84 4.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.223 -176.22 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.5 m -131.48 123.08 27.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.134 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.595 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.2 t -108.49 112.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.101 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 74.6 mtt85 -101.08 110.7 22.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.603 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.428 ' HB2' ' HG3' ' A' ' 69' ' ' ARG . . . -111.16 100.17 8.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.771 0.32 . . . . 0.0 110.476 177.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -93.65 119.93 33.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 0.0 110.644 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -90.6 111.2 22.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.928 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 52.5 t -66.59 -58.78 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.52 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -82.82 94.05 7.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.451 0.643 . . . . 0.0 109.776 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.596 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -82.29 -21.99 35.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.485 -174.157 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.63 -112.93 3.83 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.815 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.96 -26.31 15.44 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.942 2.428 . . . . 0.0 111.912 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 25.8 m-85 -82.11 168.67 17.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.69 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -101.48 -63.66 1.12 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.219 0.533 . . . . 0.0 109.63 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 112' ' ' PHE . 92.0 t80 -114.01 148.16 37.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.466 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 52.3 ttm -164.42 108.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.011 0.434 . . . . 0.0 111.165 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -112.28 113.25 25.37 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.54 HG23 ' HG2' ' A' ' 110' ' ' GLN . 41.7 mt -91.59 103.23 14.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.212 -177.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.9 t -98.55 113.22 32.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.05 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.595 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 19.0 m0 -92.03 100.29 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 172.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -97.31 130.21 44.51 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.413 ' HB3' ' HE2' ' A' ' 15' ' ' MET . 85.7 m-85 -109.06 109.2 20.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 -177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.2 119.13 38.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -81.77 129.88 34.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.13 0.491 . . . . 0.0 110.652 -176.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.6 m -124.55 162.74 23.39 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.29 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.41 68.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 0.0 111.754 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -97.48 2.74 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.1 -169.42 24.73 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.249 -0.976 . . . . 0.0 112.321 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -95.93 119.19 33.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.604 0.24 . . . . 0.0 110.675 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 91.9 t -80.23 103.91 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.319 0.58 . . . . 0.0 109.712 174.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.48 ' SD ' ' HD1' ' A' ' 108' ' ' TRP . 11.6 tmm? -89.06 121.04 31.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.267 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.602 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 71.6 mtp180 -106.2 123.21 47.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.582 0.229 . . . . 0.0 111.451 -177.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.48 ' HD1' ' SD ' ' A' ' 106' ' ' MET . 0.9 OUTLIER -96.0 82.59 3.53 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 169.708 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.4 m -95.19 101.62 13.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.877 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.54 ' HG2' HG23 ' A' ' 93' ' ' ILE . 55.3 mt-30 -103.1 118.05 35.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.989 0.423 . . . . 0.0 110.99 -176.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -93.85 98.56 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.45 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 54.9 p90 -122.25 156.68 33.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.411 . . . . 0.0 110.626 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.14 121.14 14.63 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.803 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 93.9 mmm -80.33 141.46 35.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.485 ' H ' ' CD ' ' A' ' 116' ' ' PRO . 17.6 tptp -131.98 -47.18 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -177.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.485 ' CD ' ' H ' ' A' ' 115' ' ' LYS . 51.1 Cg_exo -58.02 -9.77 6.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.023 1.815 . . . . 0.0 112.99 177.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 66.6 74.14 0.35 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.546 0.688 . . . . 0.0 110.252 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 119' ' ' PRO . . . -91.37 161.32 34.99 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.28 178.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 118' ' ' ALA . 10.5 Cg_endo -55.14 -36.46 93.13 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.716 2.277 . . . . 0.0 111.47 176.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.7 m -75.67 112.98 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.621 0.724 . . . . 0.0 109.888 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 125' ' ' MET . 28.7 m-20 -80.11 165.22 22.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.444 -176.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.446 ' HB3' ' CA ' ' A' ' 3' ' ' GLY . 5.8 m-20 -56.54 -36.42 69.22 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.54 84.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -64.72 -41.89 95.65 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.88 0.372 . . . . 0.0 110.068 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 121' ' ' ASP . 82.7 mmm -65.6 -34.7 78.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.632 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.457 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 88.8 m -57.65 -44.47 85.67 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 110.127 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.1 -44.37 80.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -58.51 -53.18 61.21 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.445 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.45 -42.54 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.677 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -55.58 -51.82 65.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 131' ' ' ARG . 48.3 mtm180 -69.95 -44.34 69.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.31 -178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -62.18 -49.67 74.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.674 0.273 . . . . 0.0 110.84 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.1 m -61.58 -45.43 94.17 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 46.1 ttm180 -58.32 -38.35 76.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.329 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 20.4 m -70.97 -53.49 14.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -67.74 -41.34 83.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.714 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 93.8 mmm -74.16 -20.6 60.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.865 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 141' ' ' ARG . . . -71.74 -37.0 70.62 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 172.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 46.2 tp -60.88 -49.22 78.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.632 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.534 HG23 HD23 ' A' ' 31' ' ' LEU . 65.9 mt -66.03 -37.32 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.367 177.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.477 ' HG3' HG12 ' A' ' 11' ' ' ILE . 44.8 ttt-85 -51.96 -52.55 49.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.494 176.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.37 -46.41 90.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.756 0.312 . . . . 0.0 110.3 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -56.36 -49.06 75.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.104 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.445 HG21 HG22 ' A' ' 18' ' ' VAL . 31.9 mm -61.47 -46.81 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.328 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.97 -37.52 78.84 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.737 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.43 -43.2 98.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.099 0.476 . . . . 0.0 110.069 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.86 67.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.017 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.56 -33.14 68.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.395 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -70.34 -30.99 68.8 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.541 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.804 0.335 . . . . 0.0 110.761 175.242 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.758 0.313 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.76 94.96 2.05 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -86.36 89.07 7.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.508 ' HG1' ' HE2' ' A' ' 112' ' ' PHE . 6.6 m -97.28 106.79 19.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.275 -175.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -109.14 103.96 13.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.963 0.411 . . . . 0.0 110.577 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.689 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 27.1 m-80 -97.84 99.02 10.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.028 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.896 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 36.1 mt-10 -93.2 123.35 36.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.037 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.1 tt -131.55 138.22 53.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.887 0.375 . . . . 0.0 110.215 173.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.5 m -94.97 109.48 21.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.047 0.451 . . . . 0.0 110.933 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.507 HG12 ' HG3' ' A' ' 141' ' ' ARG . 43.6 mt -97.82 126.3 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.016 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.97 30.87 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.445 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.14 154.18 55.78 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.087 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.587 ' HB2' HD13 ' A' ' 17' ' ' LEU . 47.0 Cg_exo -56.86 139.71 89.88 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.866 2.378 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.734 ' SD ' ' HB2' ' A' ' 99' ' ' GLU . 77.8 mtp -51.72 -47.93 63.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.036 -175.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.51 -33.99 73.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.303 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.587 HD13 ' HB2' ' A' ' 14' ' ' PRO . 10.3 mp -71.25 -41.59 69.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.2 -46.74 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.943 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.536 ' HZ2' ' HB1' ' A' ' 71' ' ' ALA . 17.2 t-105 -55.7 -62.44 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.925 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -62.12 -32.83 73.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -172.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.6 mmm -81.62 -41.78 20.99 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -82.47 -27.76 31.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.778 0.323 . . . . 0.0 111.474 -175.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -84.26 -8.63 58.98 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.036 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -82.08 96.61 7.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 HG22 ' A' ' 40' ' ' VAL . 32.8 pt -65.61 -20.65 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.172 -170.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.77 -11.85 61.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.114 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -100.29 -7.69 24.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.246 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.496 ' HB2' HG21 ' A' ' 38' ' ' VAL . 47.5 m0 -60.68 -43.34 91.85 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.64 -22.53 44.32 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.022 1.815 . . . . 0.0 112.882 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.86 23.24 14.96 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.936 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.539 ' HG ' HG12 ' A' ' 140' ' ' ILE . 59.7 tp -138.76 -53.76 0.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.142 0.496 . . . . 0.0 109.769 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.06 155.38 28.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.678 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -90.36 -34.1 15.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.809 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -86.37 -16.6 36.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -170.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -107.09 125.93 51.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.965 0.412 . . . . 0.0 111.354 -171.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.32 -38.64 11.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.732 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.546 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 40.6 t -140.46 144.34 36.02 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.448 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.528 HG11 ' HB ' ' A' ' 25' ' ' ILE . 68.0 t -139.2 109.51 4.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -107.49 148.49 29.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.034 0.445 . . . . 0.0 111.591 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 25' ' ' ILE . 42.5 t -85.73 111.95 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.6 tp -85.82 -14.09 46.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.334 0.588 . . . . 0.0 109.948 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.9 156.24 7.56 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.297 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.608 ' HB3' HG23 ' A' ' 48' ' ' VAL . 20.4 ptt180 -150.84 122.14 7.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.331 0.586 . . . . 0.0 111.024 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -134.98 95.76 3.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.757 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t70 65.91 -80.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 O-C-N 124.013 0.821 . . . . 0.0 111.48 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -102.78 -40.25 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.656 0.741 . . . . 0.0 109.374 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -79.54 94.17 5.57 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.525 -170.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.608 HG23 ' HB3' ' A' ' 43' ' ' ARG . 3.2 p -112.9 108.17 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.859 0.838 . . . . 0.0 110.317 173.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.57 HG23 ' HG2' ' A' ' 68' ' ' GLU . 7.2 m -87.1 129.86 34.75 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.055 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -124.51 150.16 46.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.443 0.64 . . . . 0.0 111.456 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -110.43 118.17 35.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.145 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 64' ' ' SER . 47.7 mt -96.99 107.59 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.05 0.452 . . . . 0.0 110.715 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 27.3 m -109.11 125.69 52.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.517 -174.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.2 mtt -97.84 -175.07 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.024 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -69.04 149.4 97.79 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.015 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.475 ' HB3' HG22 ' A' ' 62' ' ' VAL . 18.0 Cg_endo -60.62 123.92 14.01 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.722 2.281 . . . . 0.0 111.434 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.47 163.9 19.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.846 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.01 -16.68 60.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -78.07 -2.32 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.214 0.53 . . . . 0.0 110.376 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.96 29.47 46.61 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.745 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -128.59 130.22 47.04 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.475 HG22 ' HB3' ' A' ' 56' ' ' PRO . 26.3 t -88.66 124.68 41.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.088 -178.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -87.21 102.03 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.275 0.56 . . . . 0.0 110.461 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 34.7 t -136.79 116.42 12.95 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.96 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.57 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 43.6 p90 -111.95 161.75 16.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.094 0.473 . . . . 0.0 110.659 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.8 t -104.56 138.11 30.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.868 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.1 m -144.95 158.93 43.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.57 ' HG2' HG23 ' A' ' 49' ' ' THR . 19.7 mt-10 -123.0 134.64 54.31 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.448 -175.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.522 ' HB3' HG13 ' A' ' 48' ' ' VAL . 42.8 ttt-85 -107.86 126.45 52.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.891 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.0 t -119.1 100.67 10.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 172.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.536 ' HB1' ' HZ2' ' A' ' 19' ' ' TRP . . . -98.36 105.57 17.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.726 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 11.0 t70 -80.02 111.66 23.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 6.3 Cg_exo -74.15 -19.63 19.89 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.942 2.428 . . . . 0.0 112.904 -174.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.24 -51.21 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.025 0.441 . . . . 0.0 110.555 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -84.98 -11.42 55.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.346 0.593 . . . . 0.0 110.124 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 58.04 51.21 9.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.396 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.5 m -129.84 125.18 35.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.047 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.57 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 24.6 t -104.63 108.82 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.82 0.343 . . . . 0.0 110.704 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -100.87 109.19 21.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.976 0.417 . . . . 0.0 110.353 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 68' ' ' GLU . . . -111.85 107.76 16.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -86.64 141.7 28.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.929 0.395 . . . . 0.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 91' ' ' MET . 23.5 ttt180 -91.73 122.38 34.23 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.4 t -83.13 -56.87 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.82 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.57 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 10.8 mm-40 -75.25 123.97 26.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.923 0.392 . . . . 0.0 110.681 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 35.1 p -76.35 -88.09 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -170.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.2 -123.6 7.67 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -174.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -72.52 -15.97 27.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 111.791 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.629 ' O ' ' HB ' ' A' ' 85' ' ' THR . 71.3 m-85 -103.78 160.19 14.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.195 -177.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -93.61 -41.95 9.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.482 0.658 . . . . 0.0 109.644 174.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -151.82 152.19 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.397 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.539 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 51.0 ttm -152.43 118.31 5.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.79 0.328 . . . . 0.0 110.542 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -116.33 109.13 16.96 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.551 HG12 ' HG3' ' A' ' 110' ' ' GLN . 28.4 mt -93.95 103.7 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 110.494 -176.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.496 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 40.9 t -100.07 114.97 40.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.57 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 48.1 m0 -92.75 100.5 12.98 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.686 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.5 tt0 -94.98 109.69 21.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.037 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -92.54 111.2 22.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.216 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -119.41 109.16 15.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.764 0.316 . . . . 0.0 110.63 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.734 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 37.0 tt0 -67.61 128.31 36.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.066 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.5 m -129.2 165.42 21.37 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.1 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.44 -30.69 30.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -96.36 2.67 52.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.8 0.333 . . . . 0.0 111.553 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.87 -170.21 21.76 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.398 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.0 m -81.87 111.04 17.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.857 0.36 . . . . 0.0 110.627 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.4 t -86.84 110.82 20.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.421 ' HE2' ' HB3' ' A' ' 106' ' ' MET . 33.7 ttp -100.67 118.2 36.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.279 0.562 . . . . 0.0 109.977 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.896 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 94.5 mtt180 -95.62 109.73 21.94 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.156 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.689 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 4.8 m95 -84.2 79.13 9.64 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.885 174.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.496 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 9.2 m -83.13 90.05 7.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.997 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.551 ' HG3' HG12 ' A' ' 93' ' ' ILE . 34.1 tt0 -91.04 99.11 12.2 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -93.38 98.85 11.49 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.659 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.508 ' HE2' ' HG1' ' A' ' 5' ' ' THR . 41.5 p90 -120.38 159.95 24.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.112 0.482 . . . . 0.0 110.885 -178.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.96 123.77 28.04 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.738 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 49.9 mtp -98.01 144.93 27.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.978 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.577 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 44.5 mmtm -145.81 -47.01 0.02 OUTLIER Pre-proline 0 C--N 1.318 -0.764 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.211 -172.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.577 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 47.1 Cg_exo -43.05 158.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.426 1.418 . . . . 0.0 111.899 166.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.63 32.42 0.2 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.612 -168.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -57.88 143.93 75.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.641 175.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 12.3 Cg_exo -71.49 6.62 1.83 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.18 2.587 . . . . 0.0 113.218 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.413 ' HB ' ' HB3' ' A' ' 124' ' ' TRP . 24.1 m -117.97 135.77 57.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.6 74.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.254 -173.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 62.39 -77.1 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.903 0.752 . . . . 0.0 112.047 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.455 ' O ' ' HB ' ' A' ' 126' ' ' THR . . . -64.13 -20.08 65.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -170.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.413 ' HB3' ' HB ' ' A' ' 120' ' ' VAL . 31.9 t-105 -61.84 -51.34 68.62 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.526 0.679 . . . . 0.0 109.737 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 66.6 mtp -70.62 -27.19 63.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.08 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 123' ' ' ALA . 52.8 m -52.34 -46.04 65.9 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 173.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.13 -41.82 81.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.522 ' HA ' ' HD3' ' A' ' 131' ' ' ARG . 65.6 t30 -68.89 -33.33 73.6 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.095 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.413 HD13 ' OE1' ' A' ' 110' ' ' GLN . 73.4 mt -65.48 -40.59 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.401 176.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.567 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 60.3 t30 -56.81 -40.71 76.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.268 0.556 . . . . 0.0 109.841 175.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.522 ' HD3' ' HA ' ' A' ' 128' ' ' ASN . 41.8 mtp85 -61.45 -56.85 15.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.292 177.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.0 -48.01 80.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.972 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.3 m -62.31 -46.45 88.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.186 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -57.84 -40.61 80.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.396 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.1 m -68.14 -51.6 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -65.46 -46.7 78.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.356 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.44 ' SD ' HD12 ' A' ' 140' ' ' ILE . 76.6 mmm -70.99 -25.43 62.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.28 -175.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.55 -43.96 75.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.79 -42.86 98.39 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.945 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.539 HG12 ' HG ' ' A' ' 31' ' ' LEU . 80.6 mt -65.86 -47.35 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.792 176.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.507 ' HG3' HG12 ' A' ' 11' ' ' ILE . 59.5 ttp85 -52.93 -45.39 67.62 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.184 0.302 . . . . 0.0 110.989 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -51.77 66.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.151 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 143' ' ' ARG . 13.6 ttm180 -68.92 -38.56 79.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 16.6 mm -60.22 -47.53 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.041 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -62.97 -40.55 98.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 0.0 110.071 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -64.8 -48.1 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.909 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.99 98.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.263 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.38 69.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.648 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -76.0 -45.57 15.78 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.073 175.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--N 1.332 -0.166 0 C-N-CA 121.942 0.097 . . . . 0.0 110.902 -179.599 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' A' ' 112' ' ' PHE . . . . . . . . 0 C--O 1.234 0.273 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.71 151.69 16.94 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.357 -176.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -109.49 90.57 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 126' ' ' THR . 27.1 m -81.29 116.51 21.19 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.777 -177.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -101.82 129.12 47.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.086 0.47 . . . . 0.0 110.819 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -123.28 97.05 5.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.807 170.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.855 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 40.7 mt-10 -91.51 113.24 25.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -178.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.4 tt -120.62 125.95 74.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.185 0.517 . . . . 0.0 110.341 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 90.9 m -85.48 117.98 24.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.757 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.436 HG22 ' H ' ' A' ' 13' ' ' ALA . 44.7 mt -102.69 131.69 50.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.22 18.65 2.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.036 0.446 . . . . 0.0 111.242 -174.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.436 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -103.85 146.0 31.7 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.881 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.9 147.08 94.11 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.92 2.414 . . . . 0.0 112.197 177.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.487 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 84.8 mtp -64.63 -25.77 68.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.558 -174.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -51.37 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.408 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.518 ' HG ' ' HA ' ' A' ' 148' ' ' ALA . 2.8 tm? -67.35 -46.19 74.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.764 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.4 HG22 HG21 ' A' ' 144' ' ' ILE . 63.4 t -57.28 -45.65 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.534 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -66.56 -47.37 73.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.915 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -70.78 -27.58 64.02 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.229 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 tpt -75.28 -36.12 61.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.99 0.424 . . . . 0.0 110.627 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.5 p -82.49 -28.69 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -78.02 -28.69 49.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.368 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.523 ' OD2' ' HG3' ' A' ' 27' ' ' LYS . 15.7 t70 -84.88 84.13 7.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.577 HD11 HG22 ' A' ' 40' ' ' VAL . 17.0 pt -71.97 -8.16 10.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.258 -170.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.88 -6.46 54.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.045 0.45 . . . . 0.0 110.647 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.523 ' HG3' ' OD2' ' A' ' 24' ' ' ASP . 63.9 mttp -96.64 -9.62 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.562 ' HB2' HG21 ' A' ' 38' ' ' VAL . 40.0 m0 -57.82 -45.92 99.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.4 Cg_endo -59.87 -10.03 11.17 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.112 1.875 . . . . 0.0 113.427 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.07 -8.33 41.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.35 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.31 -36.53 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.691 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.81 132.66 43.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.948 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -83.66 -25.31 30.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.911 -175.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.43 -30.27 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -103.37 118.4 36.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.743 0.306 . . . . 0.0 110.832 -173.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.78 -28.2 50.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.265 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.409 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 20.1 t -153.98 149.01 26.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.486 177.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 28' ' ' TRP . 94.8 t -124.75 99.87 6.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -100.12 117.68 34.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.499 -171.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.577 HG22 HD11 ' A' ' 25' ' ' ILE . 23.7 t -68.07 115.8 6.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.676 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.0 tp -79.43 -40.37 30.12 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.62 156.05 27.44 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.858 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -123.13 106.08 10.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 20.3 t70 -89.11 161.52 16.47 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 171.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.66 -42.9 17.12 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -127.42 7.69 6.43 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.516 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.771 ' HG2' HG22 ' A' ' 70' ' ' VAL . 59.8 mttp -132.95 110.47 10.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 110.966 -176.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.476 HG11 HH21 ' A' ' 69' ' ' ARG . 7.4 p -102.18 119.78 50.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.478 0.656 . . . . 0.0 110.54 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.4 m -100.3 120.28 39.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.007 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.41 ' HB3' HD12 ' A' ' 25' ' ' ILE . 33.1 p90 -126.07 157.32 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.296 0.57 . . . . 0.0 111.758 -177.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.625 ' HG2' ' HB2' ' A' ' 64' ' ' SER . 61.7 ttt180 -112.04 113.4 25.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.174 177.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.754 ' O ' ' HA ' ' A' ' 64' ' ' SER . 96.3 mt -81.24 104.9 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 95.5 m -101.51 128.61 47.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.42 -174.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.406 ' HB2' ' HB2' ' A' ' 63' ' ' TRP . 38.8 mtt -108.18 -171.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.513 . . . . 0.0 110.96 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -77.77 121.34 84.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.652 176.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.525 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 74.4 Cg_exo -50.52 141.22 34.04 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.032 2.488 . . . . 0.0 112.763 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -89.54 -173.34 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.044 0.449 . . . . 0.0 111.544 -173.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.78 72.04 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.346 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -73.98 -18.42 60.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 110.621 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.96 16.76 34.63 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.807 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 37.3 mtmm -87.61 142.36 27.9 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.823 0.312 . . . . 0.0 110.484 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.18 101.89 13.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 175.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.406 ' HB2' ' HB2' ' A' ' 54' ' ' MET . 11.3 m0 -70.1 93.08 0.78 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.297 0.57 . . . . 0.0 110.099 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.754 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 9.1 p -140.58 114.5 9.0 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.605 -175.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.3 p90 -113.08 153.41 28.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.216 0.532 . . . . 0.0 111.2 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.07 129.79 43.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.847 -176.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.1 m -134.94 133.42 39.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.149 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -102.05 128.53 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.803 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.476 HH21 HG11 ' A' ' 48' ' ' VAL . 58.0 ttp85 -122.03 120.29 33.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.962 0.41 . . . . 0.0 111.371 -174.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.771 HG22 ' HG2' ' A' ' 47' ' ' LYS . 29.7 t -104.74 127.1 59.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.566 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.79 104.85 14.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.715 0.293 . . . . 0.0 110.833 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -97.29 108.57 45.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.995 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.43 -15.4 19.83 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.957 2.438 . . . . 0.0 112.938 -176.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.5 t -77.7 -50.35 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.359 0.599 . . . . 0.0 109.959 -177.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.4 p -86.32 -6.77 58.88 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.859 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? 58.99 29.81 19.46 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.035 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.8 m -115.0 115.63 27.17 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.14 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.579 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 53.3 t -92.91 113.8 28.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.23 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -106.72 113.76 27.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.329 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.49 117.29 28.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.715 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -99.93 128.13 46.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.146 0.498 . . . . 0.0 110.246 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 -93.77 100.46 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.851 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.6 -45.44 74.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.239 0.543 . . . . 0.0 110.161 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -93.04 104.9 17.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.059 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.651 HG21 ' HB2' ' A' ' 88' ' ' PHE . 11.5 m -129.96 148.55 51.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.443 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.5 -102.52 0.87 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.256 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.51 -6.23 17.97 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.024 2.482 . . . . 0.0 113.644 -174.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.651 ' HB2' HG21 ' A' ' 85' ' ' THR . 72.4 m-85 -98.27 160.32 14.37 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -85.61 -46.11 11.1 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -154.99 144.91 21.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.675 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 85.2 mtp -132.72 123.68 26.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 110.701 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.762 ' HB3' ' HB3' ' A' ' 111' ' ' ASP . 40.6 t30 -108.79 115.73 30.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.716 178.293 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 43.7 mt -103.6 112.13 35.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.87 0.367 . . . . 0.0 110.667 -175.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 96' ' ' GLU . 77.1 t -115.44 118.93 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 -177.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.579 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 47.1 m0 -107.22 107.67 18.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 43.5 mt-10 -105.96 121.09 43.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.883 0.373 . . . . 0.0 110.923 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -100.43 116.96 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.515 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.64 130.49 54.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.926 0.393 . . . . 0.0 111.23 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.487 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 43.2 mt-10 -73.01 115.55 12.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.492 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.8 m -123.69 156.75 35.35 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.17 -7.59 53.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.922 0.391 . . . . 0.0 111.864 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.4 -4.9 14.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.258 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.7 -169.39 29.88 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.493 -0.861 . . . . 0.0 112.56 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.2 m -97.07 112.99 24.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 90.5 t -89.68 112.84 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.406 ' HB3' ' HE2' ' A' ' 106' ' ' MET . 44.1 ttp -97.43 120.43 37.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.208 0.528 . . . . 0.0 110.567 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.855 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 74.2 mtt180 -93.05 104.97 17.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.108 178.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -85.07 87.44 7.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.733 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 5' ' ' THR . 26.4 m -97.37 105.34 17.47 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.614 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -102.11 109.6 21.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.267 0.556 . . . . 0.0 110.286 177.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.762 ' HB3' ' HB3' ' A' ' 92' ' ' ASN . 11.6 t70 -89.23 112.82 23.95 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.04 177.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.591 ' HD2' ' HG3' ' A' ' 114' ' ' MET . 45.7 p90 -113.61 129.18 56.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.114 0.483 . . . . 0.0 111.321 -174.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -111.22 108.48 18.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.435 173.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.591 ' HG3' ' HD2' ' A' ' 112' ' ' PHE . 64.1 mtp -106.46 159.58 16.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.162 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.574 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 86.8 tttt -169.31 -57.79 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.431 0 CA-C-O 119.049 -0.5 . . . . 0.0 112.216 -175.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 67.0 Cg_exo -39.29 -76.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 123.33 2.687 . . . . 0.0 115.084 -170.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -153.12 68.55 0.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.198 0.523 . . . . 0.0 109.606 -174.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -107.01 108.37 61.91 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.817 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.09 -5.88 15.43 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.7 2.266 . . . . 0.0 111.306 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.46 HG12 ' HD1' ' A' ' 124' ' ' TRP . 27.3 m -87.46 139.84 16.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.259 177.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.53 160.35 19.0 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.75 -35.94 57.06 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.33 93.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.628 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TRP . . . . . 0.46 ' HD1' HG12 ' A' ' 120' ' ' VAL . 43.0 t-105 -74.27 -35.33 63.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.987 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.545 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 84.1 mmm -65.47 -54.37 29.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.629 176.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 5' ' ' THR . 88.6 m -57.15 -37.26 71.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.117 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.27 -53.94 45.1 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.809 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -65.91 -43.19 88.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.181 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.563 ' HB ' HG21 ' A' ' 5' ' ' THR . 75.8 mt -59.78 -52.09 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.638 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.66 -38.34 84.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.026 0.441 . . . . 0.0 110.722 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -66.5 -54.54 22.75 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.342 0.591 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -68.91 -44.38 73.25 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.186 -176.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.8 m -58.97 -39.95 83.29 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.128 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.27 -49.02 79.26 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.145 176.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.2 m -66.25 -44.77 82.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.307 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -67.45 -43.89 79.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.952 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.595 ' SD ' HD12 ' A' ' 140' ' ' ILE . 92.6 mmm -78.98 -13.57 59.71 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.038 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.86 -44.51 76.95 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.539 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 63.0 tp -55.7 -48.83 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.786 174.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.595 HD12 ' SD ' ' A' ' 137' ' ' MET . 55.2 mt -68.18 -37.56 78.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.334 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -53.59 -51.93 61.42 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.699 0.285 . . . . 0.0 110.892 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.37 -22.81 64.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.404 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 12.2 mmt180 -72.65 -43.13 63.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 140' ' ' ILE . 40.9 mm -60.98 -53.09 53.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.524 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -66.8 -24.86 66.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 150' ' ' GLU . 63.3 tt0 -70.47 -45.76 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.39 76.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.669 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.518 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -66.01 -38.11 87.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -72.74 -27.25 69.5 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.567 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 146' ' ' GLN . 4.3 tp10 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.359 0.6 . . . . 0.0 109.627 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.49 106.53 3.26 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.371 -176.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -106.52 90.35 3.31 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 HG23 ' A' ' 126' ' ' THR . 4.6 m -104.49 104.26 14.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.837 0.351 . . . . 0.0 110.962 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 33.1 t70 -106.46 102.61 11.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.107 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -108.13 111.18 23.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.226 0.536 . . . . 0.0 111.058 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.678 ' HG2' ' HD2' ' A' ' 107' ' ' ARG . 15.9 mt-10 -101.03 127.02 47.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.706 -175.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.417 HG21 ' HB3' ' A' ' 137' ' ' MET . 12.5 tt -131.28 125.84 57.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.414 0.626 . . . . 0.0 110.752 174.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 6.0 m -82.25 121.59 26.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.688 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.508 HG23 ' HG3' ' A' ' 141' ' ' ARG . 56.8 mt -104.08 127.4 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.416 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.53 70.28 10.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.232 0.539 . . . . 0.0 110.543 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.89 152.92 24.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.228 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.482 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.2 Cg_endo -64.19 141.24 75.06 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.819 2.346 . . . . 0.0 112.416 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 86.5 mtp -59.76 -26.48 65.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.139 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -46.29 -64.4 0.76 Allowed 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.896 0.747 . . . . 0.0 111.338 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.531 ' HA ' HG22 ' A' ' 20' ' ' THR . 29.9 tp -76.86 -34.76 57.8 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.863 -174.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG22 HG21 ' A' ' 144' ' ' ILE . 66.2 t -54.95 -55.47 15.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.742 0.306 . . . . 0.0 110.615 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.3 t-105 -64.66 -47.99 76.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.001 -176.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 17' ' ' LEU . 4.0 t -70.3 -24.48 63.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.864 -172.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.7 ttm -87.68 -41.57 13.27 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.275 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.6 p -67.48 -29.23 68.62 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.307 0.575 . . . . 0.0 110.62 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -78.96 -22.63 45.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.614 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.43 89.8 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.552 0.691 . . . . 0.0 109.457 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.655 ' HB ' HG11 ' A' ' 38' ' ' VAL . 24.7 pt -73.24 -16.08 17.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.303 -172.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.55 -17.78 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.61 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -114.95 13.86 17.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.039 0.447 . . . . 0.0 110.901 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 22.4 m0 -57.57 -48.1 97.83 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 33.7 Cg_endo -64.29 -1.07 3.34 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.192 1.928 . . . . 0.0 113.303 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -92.98 -24.25 23.18 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.668 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.28 -36.08 5.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.033 0.444 . . . . 0.0 110.632 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.626 ' HE1' ' HB3' ' A' ' 136' ' ' GLN . 3.8 t80 -106.9 130.07 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.162 -175.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 p -92.08 -1.21 57.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -170.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -90.34 -29.02 18.34 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -172.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -104.24 137.51 42.05 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.861 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.2 -44.76 11.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.379 -178.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -141.4 132.1 25.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.756 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.655 HG11 ' HB ' ' A' ' 25' ' ' ILE . 90.5 t -112.29 107.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 173.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -116.1 133.34 56.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.95 0.405 . . . . 0.0 111.695 -170.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.587 HG22 HD11 ' A' ' 25' ' ' ILE . 21.3 t -84.34 115.23 26.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 51' ' ' ARG . 77.7 mt -89.65 -38.05 14.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.002 0.429 . . . . 0.0 110.429 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.22 165.23 38.46 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -142.38 170.87 14.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 117.758 0.779 . . . . 0.0 110.718 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.76 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 15.0 m-20 -130.64 179.21 6.08 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 170.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.25 -34.58 68.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.754 0.311 . . . . 0.0 111.133 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -124.46 11.84 8.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.199 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.76 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -125.25 150.64 46.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.779 0.323 . . . . 0.0 111.269 -174.106 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.5 p -132.88 112.56 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.598 167.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.536 HG23 ' HG2' ' A' ' 68' ' ' GLU . 21.6 m -98.0 105.3 17.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.824 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -121.74 160.98 23.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.094 0.473 . . . . 0.0 111.39 -174.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.536 ' HB2' HD11 ' A' ' 41' ' ' LEU . 47.3 ttp180 -106.88 121.28 44.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.563 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.516 HD21 ' HZ3' ' A' ' 28' ' ' TRP . 27.4 mt -84.69 96.83 9.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.996 176.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.9 m -87.35 96.5 10.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.433 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.5 ttt -81.82 164.31 21.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.674 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 55.1 p-80 -53.1 128.71 48.69 Favored Pre-proline 0 N--CA 1.463 0.205 0 CA-C-O 120.931 0.396 . . . . 0.0 111.215 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.83 ' HB3' HG22 ' A' ' 62' ' ' VAL . 36.2 Cg_endo -65.43 134.24 37.86 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.989 2.459 . . . . 0.0 112.746 -177.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.17 165.67 23.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.578 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.39 -24.21 67.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.961 0.41 . . . . 0.0 110.72 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.02 -24.04 65.87 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.113 173.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.88 63.23 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -172.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -75.35 108.83 8.4 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.952 0.406 . . . . 0.0 110.164 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.83 HG22 ' HB3' ' A' ' 56' ' ' PRO . 15.4 t -90.75 110.62 22.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -74.55 96.26 2.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.308 0.575 . . . . 0.0 110.471 -174.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 6.6 m -119.51 111.73 18.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.703 -177.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 48.0 p90 -124.76 149.84 46.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.5 t -89.97 132.7 33.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.763 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -138.84 142.21 38.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.536 ' HG2' HG23 ' A' ' 49' ' ' THR . 42.3 mt-10 -107.84 131.7 54.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.805 0.336 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HD2' HG12 ' A' ' 78' ' ' VAL . 47.9 ttp180 -121.34 136.94 54.9 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.455 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 1.9 m -110.66 137.63 42.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.421 174.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.78 96.49 5.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.959 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.26 107.92 49.99 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.402 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.5 -21.33 46.58 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.889 2.393 . . . . 0.0 112.387 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.06 -55.22 20.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.7 p -89.52 -3.33 58.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.174 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 76' ' ' ARG . 64.6 mtt85 59.05 33.44 22.95 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.428 0.632 . . . . 0.0 110.043 -176.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.475 HG23 HG13 ' A' ' 94' ' ' VAL . 98.3 m -113.65 115.39 27.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.963 -177.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.486 HG12 ' HD2' ' A' ' 69' ' ' ARG . 23.7 t -111.16 94.21 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.284 175.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -108.26 138.39 44.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.025 0.44 . . . . 0.0 111.42 -173.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . . . -114.7 121.56 43.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.289 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -95.04 117.12 29.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.553 0.692 . . . . 0.0 110.31 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.632 ' HB3' ' HB2' ' A' ' 91' ' ' MET . 75.3 ttt180 -90.67 95.88 10.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.576 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.56 -46.22 49.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.55 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 32.4 mt-10 -86.66 102.75 14.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.738 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 88' ' ' PHE . 4.0 m -141.08 139.08 33.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 178.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.36 -72.9 1.24 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.986 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.437 ' HG2' ' CD1' ' A' ' 88' ' ' PHE . 58.0 Cg_endo -73.14 -4.13 14.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.636 2.224 . . . . 0.0 113.62 -176.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.685 ' HB2' HG21 ' A' ' 85' ' ' THR . 73.3 m-85 -120.55 155.02 34.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -84.4 -47.38 10.73 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 91.6 t80 -149.73 137.56 20.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.922 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.632 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 80.2 mtp -129.47 115.51 17.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.726 0.298 . . . . 0.0 110.628 177.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 30.6 t30 -110.09 106.35 15.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.013 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.534 HG23 ' HG2' ' A' ' 110' ' ' GLN . 53.5 mt -98.46 101.8 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.003 0.43 . . . . 0.0 110.295 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.594 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 85.0 t -93.75 116.81 35.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.198 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -95.03 94.65 8.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -97.26 130.55 44.45 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -103.71 118.3 36.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.052 0.453 . . . . 0.0 110.376 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.14 147.84 28.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.362 -176.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -77.99 135.84 37.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 103' ' ' GLY . 10.5 m -146.68 156.28 43.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 173.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.32 -11.54 57.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.347 -175.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -115.08 10.12 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.431 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.469 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 150.27 -169.37 30.26 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.001 -1.095 . . . . 0.0 112.834 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 m -107.71 120.04 41.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 70.0 t -86.09 116.2 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.965 0.412 . . . . 0.0 110.427 179.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 45.8 ttp -98.43 115.41 28.44 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.678 ' HD2' ' HG2' ' A' ' 8' ' ' GLU . 25.4 mtm180 -108.68 112.75 25.22 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.282 -173.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -89.46 89.91 8.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.009 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.594 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 4.0 m -87.99 92.85 9.29 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.644 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.534 ' HG2' HG23 ' A' ' 93' ' ' ILE . 54.5 mt-30 -90.1 98.22 11.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -98.53 104.31 16.33 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.003 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -127.27 148.05 50.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.517 0.675 . . . . 0.0 111.826 -173.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.92 127.05 53.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.991 177.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.439 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 68.4 mtp -109.38 141.17 42.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.097 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.502 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 14.0 mmmm -150.86 -48.87 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.53 -173.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.502 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 2.3 Cg_endo -43.89 164.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 122.86 2.373 . . . . 0.0 113.061 168.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -84.07 35.7 0.54 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.741 0.781 . . . . 0.0 110.775 -170.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.84 137.63 83.14 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.23 177.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.26 -43.23 36.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.107 2.538 . . . . 0.0 113.006 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.0 m -87.36 141.55 14.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.148 0.499 . . . . 0.0 110.784 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -89.27 175.8 7.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.831 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.46 -30.88 71.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.086 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.16 97.23 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.812 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -62.05 -42.19 98.92 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.198 0.523 . . . . 0.0 110.18 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.452 ' O ' HG13 ' A' ' 129' ' ' ILE . 86.8 mmm -65.71 -50.34 65.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.35 -177.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.498 HG23 HG23 ' A' ' 5' ' ' THR . 93.8 m -54.34 -41.68 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.73 -45.73 77.75 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.694 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -65.62 -39.84 91.91 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 125' ' ' MET . 85.2 mt -63.73 -39.57 85.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.5 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.366 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -58.68 -45.85 88.52 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.186 0.517 . . . . 0.0 110.57 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -67.37 -45.87 75.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.37 0.605 . . . . 0.0 110.554 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.14 -44.81 87.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.372 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 137' ' ' MET . 55.0 p -62.47 -52.68 62.54 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.725 -178.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -49.66 -44.41 47.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.666 0.269 . . . . 0.0 111.264 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 21.8 m -68.39 -55.05 13.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.625 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.626 ' HB3' ' HE1' ' A' ' 32' ' ' PHE . 82.7 mm-40 -70.56 -43.55 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.474 -174.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -63.94 -33.58 76.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.635 -178.879 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.25 91.95 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.702 0.287 . . . . 0.0 110.273 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.75 -48.99 79.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.642 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.439 ' O ' HG12 ' A' ' 144' ' ' ILE . 74.8 mt -65.66 -45.13 93.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.98 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.508 ' HG3' HG23 ' A' ' 11' ' ' ILE . 52.2 ttt180 -53.93 -48.52 70.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.421 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -56.26 -38.55 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.975 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 143' ' ' ARG . 8.9 mmt180 -69.41 -42.33 75.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.126 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.484 HG21 HG22 ' A' ' 18' ' ' VAL . 47.1 mm -59.34 -49.37 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.06 0.457 . . . . 0.0 110.477 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.94 -41.59 97.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.792 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -60.4 -50.81 72.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.419 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.99 88.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.39 94.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.466 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -75.28 -19.22 79.74 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.404 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.71 0.291 . . . . 0.0 110.848 177.226 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.26 138.01 15.53 Favored Glycine 0 N--CA 1.442 -0.931 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -120.23 87.76 2.81 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.2 m -83.72 99.02 9.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.969 0.414 . . . . 0.0 110.185 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -94.97 95.5 8.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.445 -177.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -97.04 98.47 10.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.99 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.813 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 47.4 mt-10 -89.23 117.32 28.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.74 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 tt -125.27 132.22 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.067 0.461 . . . . 0.0 110.089 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.4 HG21 ' HG3' ' A' ' 102' ' ' GLU . 16.6 m -93.68 136.81 33.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.795 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 13' ' ' ALA . 55.7 mt -119.24 134.2 63.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.14 18.52 1.36 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.002 0.429 . . . . 0.0 112.0 -174.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -104.38 142.43 24.6 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.502 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.9 Cg_exo -58.96 141.76 98.59 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.779 2.319 . . . . 0.0 111.918 177.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.2 mtp -56.4 -28.53 59.61 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -173.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HG3' ' H ' ' A' ' 17' ' ' LEU . 8.6 pt-20 -55.34 -61.32 2.41 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.988 0.18 . . . . 0.0 111.416 -178.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.601 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 35.8 tp -66.26 -35.8 81.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.651 0.205 . . . . 0.0 110.994 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 14' ' ' PRO . 96.8 t -53.02 -59.08 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 121.374 -0.13 . . . . 0.0 110.965 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -63.05 -40.25 97.16 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.601 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 11.5 m -52.29 -34.36 46.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.945 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.4 mmm -89.8 -45.08 9.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.519 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.1 p -77.57 -21.54 52.32 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -64.68 -42.73 95.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 110.599 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.575 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 66.0 t0 -77.99 109.33 11.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.059 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.567 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 26.4 pt -74.74 -12.98 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.558 -175.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.68 -6.8 59.57 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.15 0.5 . . . . 0.0 110.309 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HD2' ' HB3' ' A' ' 24' ' ' ASP . 48.1 mttp -96.46 -11.82 25.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.554 176.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.572 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 43.2 m0 -57.58 -45.24 99.87 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -176.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 14.9 Cg_endo -57.75 -18.51 34.15 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.171 1.914 . . . . 0.0 113.082 178.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.15 -21.3 25.54 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.016 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 mp -95.46 -52.47 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.687 0.28 . . . . 0.0 110.934 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 34' ' ' GLU . 24.4 t80 -96.42 107.66 20.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.1 m -84.91 55.37 3.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.903 -172.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 33.3 tt0 -148.51 -11.99 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -102.17 126.37 49.12 Favored 'General case' 0 CA--C 1.52 -0.207 0 O-C-N 121.666 -0.646 . . . . 0.0 110.64 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.63 -44.87 18.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.704 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.562 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 49.7 m -130.75 131.57 44.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.304 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.0 t -111.98 99.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 170.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.621 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 34.5 mt-10 -94.25 110.91 22.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.915 -171.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 t -76.48 99.47 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.386 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -77.02 -43.35 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.33 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.81 -164.0 37.6 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.837 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.572 ' HB3' HG23 ' A' ' 48' ' ' VAL . 42.2 ptt85 -166.64 161.52 15.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.836 0.35 . . . . 0.0 110.636 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -130.98 90.9 2.96 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 61.01 -83.94 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.212 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -102.48 -25.18 13.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.028 0.442 . . . . 0.0 111.074 -175.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -96.06 112.17 23.98 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.423 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.572 HG23 ' HB3' ' A' ' 43' ' ' ARG . 11.1 p -99.48 145.4 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.276 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.5 m -122.33 119.48 31.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 26.8 p90 -133.62 166.6 22.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.641 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.621 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 50.7 ttt180 -119.81 117.98 29.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.639 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 64' ' ' SER . 94.9 mt -93.06 117.88 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.218 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 91.4 m -121.24 128.41 52.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.566 -175.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 46.7 mtt -105.46 -169.77 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.773 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -58.95 157.18 21.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.911 171.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' A' ' 62' ' ' VAL . 56.4 Cg_endo -71.64 159.83 49.93 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.306 2.004 . . . . 0.0 112.234 175.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -83.23 -171.79 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.72 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.56 -34.77 58.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.029 0.442 . . . . 0.0 110.681 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.17 -21.2 27.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.39 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.27 -3.48 6.74 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.361 -0.923 . . . . 0.0 113.659 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -63.03 110.26 1.75 Allowed 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 117.561 0.68 . . . . 0.0 110.43 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.55 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 7.1 p -80.71 118.89 29.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 173.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -76.16 89.62 3.08 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.764 0.793 . . . . 0.0 110.932 -171.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 25.3 t -123.8 139.64 53.78 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.061 -1.427 . . . . 0.0 109.661 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.492 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 14.2 p90 -148.46 133.27 17.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.233 0.54 . . . . 0.0 111.636 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.3 t -73.21 126.4 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.277 175.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.539 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 15.0 m -128.07 143.15 51.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.217 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -113.58 128.06 56.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.266 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.451 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 48.0 ttp180 -117.45 118.14 31.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.824 0.345 . . . . 0.0 111.523 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.78 109.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.44 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.17 110.38 20.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.672 0.272 . . . . 0.0 111.248 -176.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -103.97 108.19 59.16 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.854 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.78 -35.89 34.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 123.036 2.49 . . . . 0.0 112.974 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 t -72.88 -40.66 60.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.159 0.504 . . . . 0.0 110.796 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.1 m -82.38 -12.75 57.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.168 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 59.97 33.08 21.39 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.56 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.517 HG23 ' HG2' ' A' ' 96' ' ' GLU . 29.8 m -129.76 124.77 34.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.586 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.546 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 47.8 t -116.96 124.53 73.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -109.06 112.9 25.33 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.04 104.34 11.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.985 0.421 . . . . 0.0 110.918 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -102.32 142.14 34.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.399 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -106.1 105.21 15.14 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.237 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.8 t -57.1 -43.81 82.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.36 0.6 . . . . 0.0 109.587 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 39.2 mt-10 -91.64 97.39 11.0 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 170.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.757 HG22 ' HB2' ' A' ' 88' ' ' PHE . 4.4 m -86.8 -25.96 24.34 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -174.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.443 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 97.6 -127.59 9.27 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.102 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.443 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 3.0 Cg_exo -76.78 -8.93 18.22 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.197 2.598 . . . . 0.0 112.263 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.757 ' HB2' HG22 ' A' ' 85' ' ' THR . 46.1 m-85 -83.91 172.33 12.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.765 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' A' ' 113' ' ' ALA . 58.0 tt0 -92.54 -43.34 9.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.163 0.506 . . . . 0.0 109.988 178.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.63 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 39.0 t80 -159.43 148.32 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.58 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.459 ' HB3' HG23 ' A' ' 85' ' ' THR . 53.0 ttm -157.1 127.08 6.29 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.015 0.436 . . . . 0.0 111.5 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -132.92 117.56 17.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.489 175.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.553 HG12 ' HG3' ' A' ' 110' ' ' GLN . 19.6 mt -95.05 118.48 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.575 -175.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.542 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 43.1 t -103.63 118.89 51.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.747 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.546 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 40.5 m0 -99.17 101.64 13.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.517 ' HG2' HG23 ' A' ' 77' ' ' THR . 41.1 mt-10 -103.28 112.68 25.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.966 0.413 . . . . 0.0 110.47 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -90.45 118.68 30.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.435 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.423 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -108.17 108.98 20.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.39 104.54 2.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.5 m -122.11 162.05 21.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.906 -175.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.48 -21.61 63.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.235 0.541 . . . . 0.0 110.331 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.4 ' HG3' HG21 ' A' ' 10' ' ' THR . 9.0 tp10 -70.65 -18.46 62.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.794 175.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.52 -169.0 20.86 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -174.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.6 m -81.16 103.22 10.81 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -84.65 101.48 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.538 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.493 ' HB3' ' HE2' ' A' ' 106' ' ' MET . 36.5 ttp -92.98 115.47 28.15 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.26 0.552 . . . . 0.0 110.118 -179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.813 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 63.1 mtp85 -90.4 108.96 20.11 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.132 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -90.5 83.47 5.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.147 0.498 . . . . 0.0 109.835 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.542 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 10.2 m -85.8 94.74 9.21 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.82 179.007 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.553 ' HG3' HG12 ' A' ' 93' ' ' ILE . 31.4 tt0 -89.2 100.45 13.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.7 109.28 20.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.593 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.507 ' HD2' ' HG2' ' A' ' 114' ' ' MET . 50.6 p90 -126.51 145.72 50.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.16 0.505 . . . . 0.0 111.133 -175.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.63 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -113.19 133.32 55.11 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.507 ' HG2' ' HD2' ' A' ' 112' ' ' PHE . 96.7 mmm -127.95 104.94 8.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.859 0.361 . . . . 0.0 111.547 -176.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.574 ' NZ ' ' HB3' ' A' ' 115' ' ' LYS . 8.2 mtpm? -144.59 30.44 0.09 OUTLIER Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 175.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 115' ' ' LYS . 93.5 Cg_endo -83.91 17.0 1.78 Allowed 'Trans proline' 0 C--N 1.362 1.251 0 CA-C-N 121.145 1.445 . . . . 0.0 110.224 168.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.17 37.43 11.34 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.254 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.474 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -72.02 135.83 82.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.161 178.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 10.6 Cg_exo -72.93 48.66 1.44 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.674 2.916 . . . . 0.0 113.1 -177.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.9 m -115.65 139.99 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.762 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -80.21 11.69 3.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 69.42 -50.26 0.61 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.772 0.829 . . . . 0.0 110.442 -173.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.02 70.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -63.04 -37.06 85.67 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 121.156 0.503 . . . . 0.0 110.133 176.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 92.4 mmm -71.7 -46.99 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.978 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 41.9 m -56.4 -41.71 76.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 7.1 t70 -58.89 -55.22 37.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.718 176.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -64.81 -44.75 88.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.625 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.96 -40.6 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.679 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.57 -55.54 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.621 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 33.9 mtt180 -61.41 -42.71 99.16 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 -178.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -63.39 -52.32 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.735 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 137' ' ' MET . 21.6 m -63.58 -42.97 98.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -55.16 -47.5 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.326 . . . . 0.0 110.478 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 26.0 m -67.04 -54.8 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.193 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -61.08 -43.6 98.64 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.474 ' SD ' HD12 ' A' ' 140' ' ' ILE . 82.9 mmm -75.52 -15.75 60.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.988 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.5 62.71 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 172.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.45 -40.09 81.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.617 173.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.474 HD12 ' SD ' ' A' ' 137' ' ' MET . 42.8 mt -70.66 -44.78 76.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.53 176.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -51.44 -49.89 60.8 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 122.9 0.125 . . . . 0.0 110.822 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -53.3 -55.04 27.91 Favored 'General case' 0 CA--C 1.52 -0.21 0 O-C-N 123.418 0.449 . . . . 0.0 111.286 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 143' ' ' ARG . 50.0 mtm-85 -71.38 -31.21 67.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.068 -175.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.8 mm -68.13 -49.07 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.013 0.435 . . . . 0.0 110.133 175.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.55 -43.73 98.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.176 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -64.14 -43.86 93.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.16 93.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.011 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.413 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -65.98 -36.86 84.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.74 83.94 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.233 -0.508 . . . . 0.0 112.469 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 0.0 110.352 176.468 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.76 166.2 13.55 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.089 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -126.12 101.3 6.71 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.872 0.368 . . . . 0.0 110.844 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.485 HG23 HG23 ' A' ' 126' ' ' THR . 28.2 m -86.99 109.52 19.44 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 175.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.81 96.07 5.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.164 0.507 . . . . 0.0 110.19 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.544 ' ND2' ' HB2' ' A' ' 108' ' ' TRP . 1.2 p-10 -107.19 103.28 12.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.566 0.698 . . . . 0.0 110.435 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.993 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 38.1 mt-10 -88.17 130.35 35.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.801 -177.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 137' ' ' MET . 50.0 mm -122.02 112.78 36.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.183 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 20.4 m -80.77 106.65 12.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.644 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.466 HG12 ' HG2' ' A' ' 141' ' ' ARG . 58.7 mt -94.35 133.37 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.974 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.25 26.8 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.968 0.413 . . . . 0.0 111.821 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.91 143.4 36.67 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.855 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HG2' HD13 ' A' ' 17' ' ' LEU . 29.4 Cg_endo -63.89 152.48 80.56 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' A' ' 99' ' ' GLU . 75.0 mtp -59.92 -32.81 71.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.094 -173.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -63.23 -47.25 83.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.01 0.433 . . . . 0.0 110.63 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.785 HD23 ' HB1' ' A' ' 148' ' ' ALA . 9.9 mp -72.44 -34.09 67.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.552 -178.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.501 ' HA ' HD11 ' A' ' 144' ' ' ILE . 91.5 t -63.76 -47.47 90.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.051 174.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.465 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 15.6 t-105 -59.02 -54.43 47.19 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.803 -178.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.8 t -65.17 -26.87 68.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.63 0.234 . . . . 0.0 111.63 -175.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 75.4 mmm -82.99 -39.31 21.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 p -88.99 -7.24 56.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.845 0.355 . . . . 0.0 111.418 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.651 ' HA ' HH12 ' A' ' 69' ' ' ARG . 62.6 t30 -72.91 -28.8 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.545 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.679 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 11.6 m-20 -81.79 104.3 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.497 HD12 HG12 ' A' ' 38' ' ' VAL . 34.6 pt -70.04 -18.28 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.168 0.509 . . . . 0.0 110.899 -176.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.66 -5.17 38.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.645 177.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.679 ' HD2' ' HB2' ' A' ' 24' ' ' ASP . 91.3 mttt -100.8 -11.79 19.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.108 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.54 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 45.3 m0 -59.87 -50.69 85.34 Favored Pre-proline 0 C--O 1.224 -0.278 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.864 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 16.0 Cg_endo -57.83 -17.12 28.48 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.251 1.967 . . . . 0.0 113.042 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.72 -36.9 21.42 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.966 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.451 HD23 HG23 ' A' ' 140' ' ' ILE . 9.3 mp -93.62 -20.65 19.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.625 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.462 ' CE1' HD11 ' A' ' 140' ' ' ILE . 4.4 m-85 -97.81 147.55 24.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.531 0.682 . . . . 0.0 112.332 -177.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.9 m -101.56 -28.82 12.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.779 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.24 -52.37 8.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.011 0.434 . . . . 0.0 111.293 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -82.97 108.32 16.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.652 -174.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.91 59.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.928 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.529 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 49.8 m -149.76 136.83 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.193 0.521 . . . . 0.0 110.83 178.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.497 HG12 HD12 ' A' ' 25' ' ' ILE . 90.2 t -128.68 102.11 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.977 178.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -120.28 156.04 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.474 -0.491 . . . . 0.0 112.219 -173.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.413 ' CG2' HD11 ' A' ' 25' ' ' ILE . 41.0 t -90.4 116.01 30.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.595 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.487 HD11 ' HD2' ' A' ' 51' ' ' ARG . 83.8 mt -81.04 -38.93 26.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.55 157.14 29.49 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -144.68 137.13 26.38 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 118.241 1.021 . . . . 0.0 110.923 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -115.67 51.2 0.95 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 61.23 -79.51 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.339 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -65.45 -37.74 87.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.043 0.449 . . . . 0.0 109.868 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -115.58 115.12 25.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.822 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 69' ' ' ARG . 5.9 p -99.64 119.14 47.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.155 0.502 . . . . 0.0 110.151 175.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -86.31 96.51 9.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.882 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 69' ' ' ARG . 34.1 p90 -107.38 154.77 20.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.75 -174.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HD2' HD11 ' A' ' 41' ' ' LEU . 70.2 ttt180 -112.26 118.94 36.68 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.878 178.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.743 ' O ' ' HA ' ' A' ' 64' ' ' SER . 80.7 mt -84.57 111.48 19.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.027 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.529 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 25.5 m -101.2 114.76 29.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.97 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.4 ' HB3' ' H ' ' A' ' 55' ' ' HIS . 44.9 mtt -96.19 -157.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.657 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.4 ' H ' ' HB3' ' A' ' 54' ' ' MET . 76.8 t60 -89.86 139.15 27.58 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.219 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.795 ' HG3' HG22 ' A' ' 62' ' ' VAL . 76.2 Cg_exo -51.55 125.38 16.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.22 2.613 . . . . 0.0 112.236 174.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -79.44 169.97 17.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.697 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -13.93 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.735 0.302 . . . . 0.0 111.442 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.63 -15.53 62.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.403 0.621 . . . . 0.0 110.003 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.28 27.15 31.38 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.257 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -130.81 138.72 50.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.795 HG22 ' HG3' ' A' ' 56' ' ' PRO . 21.7 t -82.8 123.64 38.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.881 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -72.96 94.24 1.83 Allowed 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.393 0.615 . . . . 0.0 109.773 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.743 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 5.8 p -133.28 103.6 6.06 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.171 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -111.35 162.11 15.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.072 0.463 . . . . 0.0 111.502 -175.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.8 t -96.18 130.32 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.837 -176.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 m -138.83 154.76 48.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.115 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -109.24 126.26 53.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.569 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.651 HH12 ' HA ' ' A' ' 23' ' ' ASN . 23.7 ttp180 -108.37 110.36 21.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.942 0.401 . . . . 0.0 110.493 177.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 t -97.85 106.27 18.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.722 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.03 105.44 17.58 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.158 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 21.4 t70 -110.85 112.18 56.09 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.944 0.402 . . . . 0.0 111.116 -178.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 12.2 Cg_exo -70.77 -21.35 28.92 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.164 2.576 . . . . 0.0 112.373 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.6 -54.19 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.773 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 m -74.6 -15.17 60.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.039 0.447 . . . . 0.0 110.084 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 62.12 43.73 8.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.073 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.413 HG23 ' HA ' ' A' ' 96' ' ' GLU . 92.7 m -150.03 139.63 21.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.698 -174.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 63.9 t -107.37 131.52 57.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.096 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -110.96 116.87 31.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.702 0.287 . . . . 0.0 110.751 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -111.93 95.15 5.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.054 0.455 . . . . 0.0 110.444 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -98.85 130.25 45.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.155 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -93.0 110.18 21.64 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.102 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.32 -46.45 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -84.39 109.33 17.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.946 174.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.9 p -95.02 -55.24 3.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.872 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.434 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 99.6 -114.01 4.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.009 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.434 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 7.4 Cg_exo -74.25 -6.77 18.89 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.025 2.483 . . . . 0.0 112.326 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -106.36 170.23 8.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.632 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -97.26 -40.31 8.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.077 0.465 . . . . 0.0 109.954 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -150.02 144.42 25.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.865 -177.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.3 ttm -153.11 110.58 3.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 110.532 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -117.33 108.83 16.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.471 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.531 HG23 ' HG2' ' A' ' 110' ' ' GLN . 35.6 mt -92.11 108.03 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.909 0.385 . . . . 0.0 110.274 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.7 t -93.94 111.73 25.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.513 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 20.9 m0 -86.24 83.32 7.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.655 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 33.1 tt0 -90.11 111.2 22.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.476 -174.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.418 ' HE2' HG23 ' A' ' 78' ' ' VAL . 92.8 m-85 -91.28 122.29 33.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.958 0.408 . . . . 0.0 110.772 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.563 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.9 113.88 27.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.464 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 41.6 tt0 -77.94 101.56 6.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.539 -177.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.8 m -114.31 158.45 21.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.483 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.75 -7.83 56.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.265 0.555 . . . . 0.0 110.581 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -91.24 -4.17 56.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.049 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.46 -179.69 16.57 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.686 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 56.4 m -81.45 106.87 13.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -80.18 97.5 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 40.9 ttp -86.07 110.93 19.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.429 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.993 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 91.2 mtt180 -90.07 112.59 24.08 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.095 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.544 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 5.3 m95 -92.05 84.92 5.37 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 170.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.1 m -88.12 98.27 11.45 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.695 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.531 ' HG2' HG23 ' A' ' 93' ' ' ILE . 75.5 mt-30 -88.95 104.78 17.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.124 0.487 . . . . 0.0 110.349 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -83.16 101.53 11.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.864 176.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -119.6 145.25 46.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.26 0.552 . . . . 0.0 111.088 -175.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -130.69 121.02 24.75 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.886 176.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 39.9 ttm -100.88 145.45 28.58 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.9 ' HA ' ' HE3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -131.58 -55.19 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.969 -175.024 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.569 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 9.3 Cg_endo -55.14 -18.37 17.52 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.094 1.863 . . . . 0.0 113.511 174.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 68.05 78.29 0.23 Allowed 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.363 0.601 . . . . 0.0 111.328 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.54 167.59 29.11 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.651 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -68.22 1.25 3.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.617 2.211 . . . . 0.0 112.929 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 28.0 m -109.09 121.03 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.23 0.538 . . . . 0.0 110.361 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.85 176.02 8.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.629 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.78 -47.92 64.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.624 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.23 84.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.543 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -65.88 -49.37 68.31 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 68.1 mtp -59.68 -52.48 65.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.098 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.485 HG23 HG23 ' A' ' 5' ' ' THR . 95.2 m -56.71 -44.47 81.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.479 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.11 -44.0 81.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.916 0.389 . . . . 0.0 110.507 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.95 -46.71 77.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.801 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.45 HD13 ' OE1' ' A' ' 110' ' ' GLN . 96.2 mt -64.22 -40.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.988 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -57.2 -47.84 80.26 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.019 0.438 . . . . 0.0 110.339 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -58.19 -49.07 78.33 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.132 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -62.18 -48.11 81.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.976 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.7 t -64.99 -36.63 85.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.825 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 134' ' ' ARG . 30.2 ttt85 -56.29 -49.91 72.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.972 0.415 . . . . 0.0 110.661 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.2 m -71.78 -47.35 54.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -64.09 -46.06 85.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.823 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.521 ' HB3' HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -78.34 -21.96 48.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.534 -175.734 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.86 98.08 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 143' ' ' ARG . 49.6 tp -57.46 -47.51 81.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.92 174.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.462 HD11 ' CE1' ' A' ' 32' ' ' PHE . 74.0 mt -56.65 -46.17 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.908 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.466 ' HG2' HG12 ' A' ' 11' ' ' ILE . 38.1 mtm105 -49.71 -63.13 1.2 Allowed 'General case' 0 CA--C 1.519 -0.232 0 O-C-N 123.382 0.426 . . . . 0.0 111.795 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.36 -32.88 74.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.838 -174.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 139' ' ' LEU . 17.0 mtp180 -72.33 -45.46 59.84 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.252 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.501 HD11 ' HA ' ' A' ' 18' ' ' VAL . 14.3 tt -72.02 -27.38 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.078 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.2 -42.88 83.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.34 -46.53 79.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.887 175.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.68 83.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.422 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.785 ' HB1' HD23 ' A' ' 17' ' ' LEU . . . -75.03 -35.45 61.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.779 178.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -63.15 -47.1 91.14 Favored Glycine 0 C--N 1.331 0.285 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.157 0.503 . . . . 0.0 109.681 173.319 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.15 163.22 12.6 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.02 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -125.87 132.85 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.576 ' HB ' ' HB2' ' A' ' 110' ' ' GLN . 7.1 m -136.46 155.52 49.88 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -139.44 107.71 5.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.551 0.691 . . . . 0.0 110.229 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.86 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 15.9 m120 -97.52 91.61 5.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.813 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.479 ' HG2' ' CB ' ' A' ' 107' ' ' ARG . 9.0 mt-10 -95.21 125.09 39.61 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.08 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.855 HG13 ' HB3' ' A' ' 137' ' ' MET . 28.4 mm -121.18 122.15 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.29 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -78.57 103.85 8.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.195 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.555 HG12 ' HG3' ' A' ' 141' ' ' ARG . 40.1 mt -97.94 124.42 50.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 110.77 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.73 55.12 3.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.235 0.54 . . . . 0.0 110.67 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.49 148.07 54.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.895 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 148' ' ' ALA . 52.7 Cg_exo -56.07 135.89 72.15 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.146 2.564 . . . . 0.0 112.274 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.48 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 84.9 mtp -57.49 -40.87 79.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.05 -174.001 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.81 -42.61 97.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' HA ' HG22 ' A' ' 20' ' ' THR . 25.2 tp -72.77 -40.56 65.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.7 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -58.23 -42.38 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.243 0.545 . . . . 0.0 110.297 174.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -65.46 -48.28 73.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.94 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.491 HG22 ' HA ' ' A' ' 17' ' ' LEU . 14.3 t -70.97 -31.73 68.38 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.476 -176.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.2 mtp -76.06 -24.41 55.13 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.169 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 p -85.87 -20.29 29.3 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.451 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -79.42 -28.55 41.76 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 170.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.52 61.56 0.7 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.868 170.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.589 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 12.1 pt -59.88 -24.15 28.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.039 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.3 -15.64 60.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.912 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -95.21 -1.22 52.12 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.385 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.589 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 43.4 m0 -58.0 -42.8 97.05 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.4 Cg_endo -61.67 -14.69 37.37 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.047 1.832 . . . . 0.0 112.766 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.02 -12.16 62.3 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.529 HD23 HG23 ' A' ' 140' ' ' ILE . 11.0 mp -96.81 -55.49 2.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CE2' HD13 ' A' ' 139' ' ' LEU . 14.2 t80 -114.49 148.39 37.93 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 p -98.97 20.57 13.03 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -167.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -102.92 -30.26 10.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.958 0.408 . . . . 0.0 111.107 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -74.84 138.64 42.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.237 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.36 -76.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.044 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 m -130.06 109.44 10.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 0.0 110.983 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.65 HG22 ' HG ' ' A' ' 52' ' ' LEU . 43.4 t -88.26 106.31 16.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -93.86 112.05 23.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.054 0.454 . . . . 0.0 110.975 -173.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.446 HG22 HD11 ' A' ' 25' ' ' ILE . 46.7 t -77.45 112.83 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.729 176.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.499 HD12 HG22 ' A' ' 49' ' ' THR . 84.5 mt -85.75 -19.27 31.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.153 0.501 . . . . 0.0 110.297 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.36 164.79 10.44 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.445 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 36.6 ptt85 -122.91 109.45 14.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.264 0.554 . . . . 0.0 110.457 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -89.31 86.48 6.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.482 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.69 -85.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.526 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -102.39 -27.61 12.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.335 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.837 ' HG2' HG22 ' A' ' 70' ' ' VAL . 99.5 mttt -88.84 100.51 13.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.593 0.235 . . . . 0.0 111.015 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.557 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 7.0 p -88.69 114.13 26.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.456 0.646 . . . . 0.0 109.351 173.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.499 HG22 HD12 ' A' ' 41' ' ' LEU . 15.8 m -90.56 124.11 34.76 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.278 -176.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.401 ' HB3' HD12 ' A' ' 25' ' ' ILE . 37.8 p90 -133.05 135.89 45.63 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.482 0.658 . . . . 0.0 111.253 178.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 65' ' ' TRP . 41.1 ttt180 -105.27 103.5 13.05 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.638 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.65 ' HG ' HG22 ' A' ' 38' ' ' VAL . 5.0 tt -83.1 110.64 18.18 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.0 m -77.23 118.63 19.92 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.432 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 71.5 mtp -82.73 152.76 25.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.319 -175.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -60.64 145.32 87.86 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.905 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -44.2 123.03 4.03 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.495 2.797 . . . . 0.0 113.175 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.08 157.88 14.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.438 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.78 -30.05 63.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.202 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.82 -29.13 55.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.912 0.387 . . . . 0.0 110.818 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.63 -24.52 4.61 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.297 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.56 148.14 43.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 111.326 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.4 t -105.96 119.74 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -100.64 -175.25 2.85 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.783 0.801 . . . . 0.0 111.491 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.6 m -166.84 173.78 9.15 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.894 -1.503 . . . . 0.0 108.698 -176.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.565 ' CZ2' HD13 ' A' ' 52' ' ' LEU . 8.9 p90 -150.24 142.6 24.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.295 167.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' H ' ' HB3' ' A' ' 84' ' ' GLU . 48.1 t -99.35 117.06 43.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.084 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 p -138.74 149.29 44.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.723 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -114.08 128.28 56.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.242 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HB3' HG13 ' A' ' 48' ' ' VAL . 14.5 ttt180 -101.81 108.77 20.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.637 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.837 HG22 ' HG2' ' A' ' 47' ' ' LYS . 25.9 t -91.77 105.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.569 176.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.404 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -95.69 105.76 17.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.443 -176.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.9 99.89 18.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.388 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 22.0 Cg_exo -65.08 -43.37 11.68 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 123.06 2.507 . . . . 0.0 112.645 -175.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.36 -39.82 85.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.124 0.488 . . . . 0.0 110.481 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 m -79.69 -12.8 59.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.239 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? 60.98 27.32 17.21 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 110.717 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.0 m -128.48 115.19 17.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.989 0.423 . . . . 0.0 111.164 -173.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.604 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 70.3 t -98.74 111.58 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 175.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -93.42 102.65 14.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.996 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.28 99.83 11.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.298 0.57 . . . . 0.0 109.746 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -92.53 116.46 29.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.594 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.586 ' HB3' ' HB2' ' A' ' 91' ' ' MET . 0.7 OUTLIER -83.72 98.72 9.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.665 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.08 -47.12 82.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.31 0.576 . . . . 0.0 110.268 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' HB3' ' H ' ' A' ' 66' ' ' VAL . 42.0 tt0 -88.26 97.96 11.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.631 177.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.464 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 5.5 p -91.27 -62.95 1.33 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.899 -176.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.99 -108.33 3.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.739 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.17 -13.92 37.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.909 2.406 . . . . 0.0 111.678 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.464 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 58.5 m-85 -97.67 158.23 15.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.491 178.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -91.19 -58.53 2.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.194 0.521 . . . . 0.0 109.886 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.485 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 68.1 t80 -143.71 126.73 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.769 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.586 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 95.4 mmm -112.89 104.0 11.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.512 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.754 ' HB3' ' HB2' ' A' ' 111' ' ' ASP . 28.7 t-20 -100.03 96.76 7.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.558 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.5 mt -101.32 102.26 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.226 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.562 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 65.7 t -98.59 111.68 28.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.008 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.604 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 19.1 m0 -89.11 91.84 8.96 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 173.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -92.1 125.21 36.69 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -97.57 115.74 28.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.78 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.442 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.08 112.28 25.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.161 0.505 . . . . 0.0 111.017 -177.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.48 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 41.9 mt-10 -66.86 104.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.722 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 m -128.68 158.55 38.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.242 -174.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.52 -41.6 69.88 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -176.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.53 -21.27 60.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.331 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.81 -169.26 29.96 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.239 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 m -80.85 100.87 9.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.99 0.424 . . . . 0.0 110.008 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.442 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 60.1 t -82.3 100.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.031 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 52.6 ttp -93.21 115.17 27.79 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.479 ' CB ' ' HG2' ' A' ' 8' ' ' GLU . 31.4 ptt180 -114.56 129.07 56.63 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.781 0.8 . . . . 0.0 112.061 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.86 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 11.5 m0 -81.48 88.71 6.14 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.132 -1.395 . . . . 0.0 110.138 177.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.562 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 63.5 m -76.64 108.28 9.53 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.751 175.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.585 ' HG3' HG21 ' A' ' 129' ' ' ILE . 14.2 mm100 -98.38 108.26 20.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.947 -175.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.754 ' HB2' ' HB3' ' A' ' 92' ' ' ASN . 32.1 m-20 -106.53 93.46 4.6 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 171.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -108.8 130.11 55.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.351 0.596 . . . . 0.0 111.611 -172.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -113.2 116.8 30.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.48 174.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.4 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 23.0 ptm -159.32 151.25 20.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.159 -177.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.536 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 6.5 tmtt? -175.54 -54.66 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 O-C-N 123.309 0.381 . . . . 0.0 110.955 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 3.9 Cg_endo -45.87 111.72 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 122.976 2.451 . . . . 0.0 113.464 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.19 -16.75 0.5 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.114 174.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -86.73 120.38 71.77 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.751 0.31 . . . . 0.0 110.801 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 18.5 Cg_endo -87.65 77.58 1.76 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.813 2.342 . . . . 0.0 111.862 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.31 149.68 33.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.643 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -108.88 24.34 13.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 71.32 -56.99 0.62 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.751 -174.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.45 -41.91 66.62 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.522 0.514 . . . . 0.0 111.201 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -52.0 -56.62 13.16 Favored 'General case' 0 C--O 1.228 -0.066 0 O-C-N 123.615 0.572 . . . . 0.0 110.745 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.44 ' O ' HG13 ' A' ' 129' ' ' ILE . 95.7 mmm -65.88 -42.09 90.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 -177.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 62.1 m -54.15 -52.73 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.324 0.39 . . . . 0.0 111.483 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.507 ' HA ' ' ND2' ' A' ' 130' ' ' ASN . 24.4 t70 -82.01 -26.66 33.65 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.008 -175.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -63.16 -42.96 99.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.585 HG21 ' HG3' ' A' ' 110' ' ' GLN . 74.4 mt -60.16 -41.12 85.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.193 175.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.514 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 95.4 m-20 -52.6 -54.38 33.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.802 0.334 . . . . 0.0 110.427 176.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -60.07 -50.05 75.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.479 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.91 -48.76 73.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.325 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.4 t -66.64 -42.24 87.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.247 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.514 ' NH1' ' HB3' ' A' ' 130' ' ' ASN . 47.6 mtm-85 -61.38 -40.58 94.86 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.473 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 58.4 m -59.47 -49.47 77.65 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 120.9 0.381 . . . . 0.0 110.327 177.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -60.31 -57.59 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.89 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.855 ' HB3' HG13 ' A' ' 9' ' ' ILE . 31.0 mmt -63.01 -37.33 86.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.513 -173.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.87 86.69 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.486 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.49 HD13 ' CE2' ' A' ' 32' ' ' PHE . 8.2 tt -67.48 -46.28 73.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.099 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.529 HG23 HD23 ' A' ' 31' ' ' LEU . 66.5 mt -65.74 -38.21 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.293 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.555 ' HG3' HG12 ' A' ' 11' ' ' ILE . 13.3 ttp180 -54.93 -50.35 69.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.223 175.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.94 -35.38 73.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.106 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -69.99 -43.62 71.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.607 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 31.2 mm -62.52 -52.42 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.753 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.83 -35.14 78.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -62.64 -49.56 74.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.086 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.36 92.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.916 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 14' ' ' PRO . . . -69.63 -15.58 63.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -93.62 -41.13 4.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.432 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.672 -0.264 . . . . 0.0 111.277 177.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.526 ' HA ' ' O ' ' A' ' 114' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.445 0.164 . . . . 0.0 111.283 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -170.33 117.38 0.53 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.93 173.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.54 128.35 6.92 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.249 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -100.52 99.22 9.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.983 0.421 . . . . 0.0 110.464 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m -96.6 116.67 29.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.12 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -116.72 87.85 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.849 0.357 . . . . 0.0 110.309 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.554 ' OD1' ' HA ' ' A' ' 130' ' ' ASN . 2.1 m120 -98.85 115.54 29.06 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.475 0.655 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 22.5 mt-10 -113.16 140.24 48.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.087 -175.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.463 HD11 ' HD3' ' A' ' 141' ' ' ARG . 17.5 tt -143.56 139.86 26.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.846 0.355 . . . . 0.0 110.673 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 m -86.99 132.51 33.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.379 -175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.493 HG12 ' HG3' ' A' ' 141' ' ' ARG . 20.2 mt -124.23 141.09 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.49 21.74 5.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.929 0.395 . . . . 0.0 111.252 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -95.17 140.99 22.64 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 22.5 Cg_exo -64.48 148.16 90.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.954 2.436 . . . . 0.0 112.171 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 79.1 mmm -49.3 -41.84 39.5 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.053 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -54.03 -53.9 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.46 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.581 ' HA ' HG22 ' A' ' 20' ' ' THR . 6.1 tp -73.1 -37.18 66.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.431 -174.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.528 ' HA ' HD11 ' A' ' 144' ' ' ILE . 96.8 t -57.03 -48.0 82.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.003 0.43 . . . . 0.0 110.703 175.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -66.38 -53.43 36.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.624 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 17' ' ' LEU . 11.6 t -65.49 -34.28 77.91 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.5 tpp -69.28 -43.77 73.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.85 0.357 . . . . 0.0 110.703 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.8 p -74.39 -19.32 60.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.463 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -81.97 -23.43 36.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.818 0.342 . . . . 0.0 110.608 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -85.52 81.75 8.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.352 0.596 . . . . 0.0 109.4 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.625 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 29.8 pt -68.69 -14.5 18.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.893 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.9 -16.15 61.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.253 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -103.06 2.4 34.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.275 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.625 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 38.3 m0 -56.74 -43.38 99.34 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.67 -16.15 23.59 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.181 1.921 . . . . 0.0 113.277 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.29 -7.59 72.72 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.097 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.839 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 7.3 mp -118.91 -39.66 2.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.153 0.502 . . . . 0.0 110.214 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.82 112.35 24.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.273 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.7 m -81.59 -5.98 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.882 178.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' HG2' ' HE2' ' A' ' 54' ' ' MET . 32.3 tt0 -75.16 -21.95 58.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.881 -175.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -115.66 173.22 6.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.024 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.25 -33.28 3.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.871 0.367 . . . . 0.0 111.16 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.533 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 50.8 m -148.94 140.7 23.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.89 0.376 . . . . 0.0 111.08 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 28' ' ' TRP . 64.7 t -121.08 102.27 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.26 126.18 47.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.258 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.615 HG22 HD11 ' A' ' 25' ' ' ILE . 3.5 t -84.64 102.1 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.4 -44.01 68.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.296 0.569 . . . . 0.0 109.93 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.39 156.16 25.66 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.527 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -121.56 108.81 14.04 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.223 0.535 . . . . 0.0 110.461 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.494 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 37.4 t70 -92.94 58.95 3.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.338 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 59.78 -83.91 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.702 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -78.44 -36.16 45.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.536 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.862 ' HG2' HG22 ' A' ' 70' ' ' VAL . 77.2 mttt -89.49 111.2 22.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.453 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.538 HG13 ' HB3' ' A' ' 69' ' ' ARG . 7.6 p -98.66 105.82 17.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-O 121.661 0.743 . . . . 0.0 109.001 170.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.5 m -94.88 118.09 31.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.181 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.438 ' HB3' HD12 ' A' ' 25' ' ' ILE . 19.7 p90 -128.58 164.52 22.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.44 0.638 . . . . 0.0 111.891 -174.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -112.21 114.51 27.35 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.273 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.544 ' O ' ' HA ' ' A' ' 64' ' ' SER . 63.3 mt -84.77 104.49 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.982 0.42 . . . . 0.0 110.263 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.533 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 38.9 m -102.96 126.62 50.2 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.567 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.44 ' HE2' ' HG2' ' A' ' 34' ' ' GLU . 42.0 mtt -101.35 175.26 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.683 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -71.73 153.55 93.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.304 172.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.652 ' HG3' HG22 ' A' ' 62' ' ' VAL . 28.1 Cg_exo -61.83 154.88 58.01 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.775 2.317 . . . . 0.0 112.757 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 61' ' ' LYS . 18.4 p30 -81.82 -167.0 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.91 -21.31 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.103 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.46 -3.66 43.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.233 0.539 . . . . 0.0 110.247 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.4 17.79 51.48 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.126 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 87.7 tttt -94.1 127.21 39.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.67 0.271 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.652 HG22 ' HG3' ' A' ' 56' ' ' PRO . 42.7 t -85.43 134.92 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.43 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -105.26 136.58 44.53 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.979 0.419 . . . . 0.0 110.597 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 73.9 p -156.35 147.36 22.12 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.673 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.573 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 47.8 p90 -148.32 149.76 32.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.0 136.08 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -139.55 146.43 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.503 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -104.78 119.54 39.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.412 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.538 ' HB3' HG13 ' A' ' 48' ' ' VAL . 71.3 ttt-85 -106.35 107.26 18.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.918 0.39 . . . . 0.0 110.034 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.862 HG22 ' HG2' ' A' ' 47' ' ' LYS . 24.1 t -94.05 128.56 45.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.733 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.492 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -93.26 110.92 22.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.494 175.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -105.41 92.34 5.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 13.0 Cg_exo -69.87 -26.92 26.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.138 2.558 . . . . 0.0 113.426 -170.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.9 t -66.67 -46.34 86.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.829 0.347 . . . . 0.0 111.383 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 p -98.91 10.79 40.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.378 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 64.2 mtt180 55.31 44.32 27.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.25 0.548 . . . . 0.0 109.863 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -119.48 139.28 52.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.439 -172.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.554 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 91.0 t -114.79 126.7 72.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 172.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 79' ' ' ARG . 33.6 mtt180 -111.73 102.66 10.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.355 -177.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.05 99.45 9.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.945 0.403 . . . . 0.0 110.753 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -102.02 138.15 39.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.017 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -89.42 122.52 32.71 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.756 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.4 t -73.43 -49.65 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.386 0.612 . . . . 0.0 109.564 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 42.5 mt-10 -96.69 121.0 38.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.323 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.412 ' OG1' ' HB2' ' A' ' 88' ' ' PHE . 5.5 t -159.27 145.76 16.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.896 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -111.23 -82.96 1.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.541 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.57 -24.35 74.77 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.966 2.444 . . . . 0.0 112.809 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HB2' ' OG1' ' A' ' 85' ' ' THR . 81.6 m-85 -95.54 101.12 12.8 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -60.61 -39.62 88.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.906 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -135.14 141.96 46.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.398 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 42.7 ttm -159.11 108.61 1.92 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.254 0.549 . . . . 0.0 111.326 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -124.71 115.94 21.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.119 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.53 HG23 ' HG2' ' A' ' 110' ' ' GLN . 23.8 mt -99.02 106.46 18.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.989 0.423 . . . . 0.0 110.337 -176.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 97.0 t -98.32 112.79 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.055 -177.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.554 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 26.4 m0 -98.26 102.15 13.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -98.44 129.99 45.05 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -101.37 115.11 29.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.067 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.477 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.78 107.33 18.27 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.077 -175.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.472 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 36.0 tt0 -68.21 106.5 2.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.913 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.4 m -120.88 163.22 18.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.151 -175.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.83 -29.5 66.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.52 -24.5 42.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 0.0 110.775 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.61 -169.44 27.8 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.695 -173.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.3 m -79.89 108.96 13.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.866 0.365 . . . . 0.0 110.41 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.477 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 98.7 t -82.5 117.89 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 49.0 ttp -94.85 118.35 31.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.061 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.444 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 40.3 ttm180 -105.8 114.71 29.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.698 -177.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -96.3 91.36 5.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.163 0.506 . . . . 0.0 110.443 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.573 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 92.0 m -89.73 98.62 11.87 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.796 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.53 ' HG2' HG23 ' A' ' 93' ' ' ILE . 86.1 mt-30 -95.39 102.93 14.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.386 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -89.01 98.36 11.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -124.97 146.08 49.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.068 0.461 . . . . 0.0 110.495 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -130.26 108.21 9.85 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.836 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.567 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 60.7 mtp -98.84 141.29 31.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.178 0.514 . . . . 0.0 110.813 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.454 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 1.8 ttpm? -164.51 -56.98 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.502 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.454 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 11.6 Cg_endo -55.81 101.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.253 1.969 . . . . 0.0 112.749 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.9 t70 56.66 36.24 27.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.3 112.71 49.87 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -81.03 -2.14 11.59 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.786 2.324 . . . . 0.0 112.019 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 124' ' ' TRP . 9.3 m -115.76 156.77 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.752 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.682 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 38.8 t70 -97.3 29.51 3.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.324 -174.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 69.44 -48.43 0.6 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.161 -178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.44 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.682 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 95.7 m95 -60.0 -41.36 91.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.436 175.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 96.8 mmm -67.16 -50.48 61.02 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.87 177.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.4 m -51.96 -46.54 64.83 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.548 0.53 . . . . 0.0 111.589 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 18.9 t70 -57.79 -49.86 75.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 110.48 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -66.67 -37.85 85.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.704 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 125' ' ' MET . 75.6 mt -62.82 -45.98 97.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.554 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 13.9 m120 -53.36 -46.69 69.69 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.102 0.477 . . . . 0.0 110.411 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 81.8 mtt-85 -67.96 -51.15 50.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.068 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -66.33 -32.03 73.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.609 ' O ' ' HB2' ' A' ' 137' ' ' MET . 18.3 t -59.85 -43.87 94.4 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 130' ' ' ASN . 67.4 mtm180 -58.79 -40.53 84.3 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.152 176.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.8 m -64.93 -60.03 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.277 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -71.88 -44.11 64.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.188 -173.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.609 ' HB2' ' O ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -66.34 -36.76 83.74 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 121.256 -0.178 . . . . 0.0 110.985 -177.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.08 -36.77 75.16 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.473 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.13 -51.44 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.551 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.489 HG23 HD23 ' A' ' 31' ' ' LEU . 75.8 mt -64.94 -39.55 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.261 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 137' ' ' MET . 16.2 ttp85 -52.0 -56.34 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.993 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -69.12 -40.12 78.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.839 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 9.4 tpt180 -52.4 -52.63 52.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.017 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' A' ' 18' ' ' VAL . 15.7 tt -76.32 -30.31 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.56 -38.08 83.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.034 0.445 . . . . 0.0 109.844 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.99 -37.0 85.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.354 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.07 -38.55 85.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.31 -19.3 60.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.073 0.463 . . . . 0.0 110.878 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -85.24 -30.85 24.15 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.349 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -72.21 -51.14 22.47 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -107.08 115.15 29.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.934 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -64.09 -14.59 55.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.868 -169.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.482 HG22 ' H ' ' A' ' 154' ' ' ALA . 2.1 m 60.33 -136.59 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.482 ' H ' HG22 ' A' ' 153' ' ' THR . . . -109.39 127.61 54.49 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.073 -0.392 . . . . 0.0 110.176 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 11.3 p -115.7 173.98 6.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.871 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 35.8 t -74.14 79.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.539 ' HA ' ' HB2' ' A' ' 160' ' ' LEU . 50.8 tp -172.03 -30.83 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.091 -174.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.36 -38.66 74.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.289 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -111.86 27.06 10.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.053 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.539 ' HB2' ' HA ' ' A' ' 157' ' ' LEU . 33.1 tp -54.55 -40.6 68.86 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.22 0.533 . . . . 0.0 109.611 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -107.58 124.76 50.42 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 167.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.84 164.67 21.46 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -82.31 -6.62 59.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -162.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 6.8 m80 58.6 19.44 6.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.935 0.397 . . . . 0.0 111.396 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -119.55 121.7 39.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.305 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -92.07 -2.95 56.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.203 0.525 . . . . 0.0 109.834 173.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.271 175.157 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.593 0.235 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.6 136.64 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.5 124.04 12.39 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.431 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -121.93 92.26 3.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.953 0.406 . . . . 0.0 109.997 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.538 ' OG1' ' HB2' ' A' ' 110' ' ' GLN . 3.0 p -101.69 101.93 12.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.47 -178.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 30.6 t70 -94.58 100.41 12.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -105.97 102.04 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.927 0.394 . . . . 0.0 111.102 -175.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.824 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 27.6 mt-10 -92.09 130.12 37.89 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.411 HG21 ' HB3' ' A' ' 137' ' ' MET . 6.0 tp -129.96 112.5 24.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.308 0.575 . . . . 0.0 109.936 173.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.405 HG23 HG22 ' A' ' 105' ' ' VAL . 9.3 m -79.7 113.42 17.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.432 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.543 HD13 HG21 ' A' ' 144' ' ' ILE . 62.0 mt -106.51 129.15 60.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.205 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.4 71.46 9.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.25 0.548 . . . . 0.0 110.305 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.43 149.43 24.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.858 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.49 ' O ' HG23 ' A' ' 18' ' ' VAL . 35.1 Cg_exo -62.11 137.83 68.94 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.008 2.472 . . . . 0.0 112.049 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 75.3 mtp -61.8 -20.82 64.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.253 -174.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.99 -60.36 3.99 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.675 0.274 . . . . 0.0 110.735 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.644 ' HA ' HG22 ' A' ' 20' ' ' THR . 23.1 tp -69.42 -31.69 70.19 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.607 ' HA ' HD11 ' A' ' 144' ' ' ILE . 89.8 t -56.94 -50.9 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.684 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -65.93 -49.91 66.28 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.56 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 17' ' ' LEU . 13.9 t -67.15 -17.01 64.66 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -173.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 83.4 mtp -93.34 -45.72 7.69 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.328 177.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.665 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 45.5 p -80.22 -22.33 41.94 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.767 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 12.8 t30 -86.01 -26.27 25.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.706 0.289 . . . . 0.0 110.923 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.53 ' OD2' ' HG2' ' A' ' 27' ' ' LYS . 13.6 t70 -79.3 97.98 6.5 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.621 HD11 HG22 ' A' ' 40' ' ' VAL . 20.4 pt -63.37 -21.06 27.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.158 -169.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.95 3.07 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.059 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.53 ' HG2' ' OD2' ' A' ' 24' ' ' ASP . 47.7 mmtm -92.09 -20.2 21.52 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.521 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 48.5 m0 -55.01 -51.12 82.15 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.938 -175.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.9 Cg_endo -59.04 -18.35 42.8 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.302 2.001 . . . . 0.0 113.301 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.23 -27.07 56.42 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.788 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.35 -45.41 5.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.771 0.32 . . . . 0.0 110.573 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -94.27 119.85 33.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.943 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 p -73.08 -32.15 64.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.38 -29.63 67.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -170.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -86.42 137.86 32.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' A' ' 55' ' ' HIS . . . -96.67 -58.54 2.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.653 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 m -134.59 135.32 42.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG11 ' HB ' ' A' ' 25' ' ' ILE . 66.5 t -104.08 106.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -93.87 119.61 33.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.989 -172.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.621 HG22 HD11 ' A' ' 25' ' ' ILE . 32.0 t -81.67 99.46 4.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.8 0.334 . . . . 0.0 110.245 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.45 -44.61 70.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.916 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.13 161.87 33.04 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.846 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -107.23 161.42 14.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.93 0.395 . . . . 0.0 110.154 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.761 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 30.6 t70 -138.07 159.45 42.0 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -49.66 -42.11 44.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.018 0.437 . . . . 0.0 111.638 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -124.4 10.07 8.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.407 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.889 ' HG2' HG22 ' A' ' 70' ' ' VAL . 40.2 mttp -137.57 178.03 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 111.739 -175.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.0 p -148.38 117.83 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.588 167.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.434 HG23 ' HG2' ' A' ' 68' ' ' GLU . 9.2 m -90.19 113.69 25.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.943 -177.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -127.31 161.01 29.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.168 0.508 . . . . 0.0 111.413 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -113.83 112.59 23.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.283 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 64' ' ' SER . 46.3 mt -81.51 106.1 13.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.585 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.6 p -102.4 120.07 39.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.7 mtt -82.47 172.01 13.49 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.459 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.433 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 38.0 p-80 -59.98 141.04 90.16 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.415 178.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -51.96 119.47 5.75 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.696 2.264 . . . . 0.0 111.931 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.46 159.38 34.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.671 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.39 -26.8 54.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.453 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.19 -5.45 41.91 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.121 0.486 . . . . 0.0 111.038 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.69 14.35 61.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.783 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -109.58 142.67 40.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.992 0.425 . . . . 0.0 111.048 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.57 102.07 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.088 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -69.59 107.28 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.675 0.75 . . . . 0.0 110.721 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.591 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 6.6 m -126.68 141.8 51.74 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.629 -175.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -144.49 149.46 35.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.802 0.334 . . . . 0.0 110.404 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -81.77 129.6 37.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.505 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.9 t -141.78 147.47 37.37 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HG2' HG23 ' A' ' 49' ' ' THR . 42.9 mt-10 -118.77 132.07 56.13 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.82 -178.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 31.6 ttt85 -101.74 107.12 18.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.37 176.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.889 HG22 ' HG2' ' A' ' 47' ' ' LYS . 40.0 t -88.75 105.52 15.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.687 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HA ' HG22 ' A' ' 78' ' ' VAL . . . -107.72 108.21 19.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.664 0.269 . . . . 0.0 111.556 -175.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 22.9 t70 -104.95 106.03 53.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 12.5 Cg_exo -70.63 -23.28 27.01 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 123.154 2.569 . . . . 0.0 112.839 -175.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.4 t -71.12 -52.09 29.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.114 0.483 . . . . 0.0 110.368 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -80.42 -15.29 57.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.04 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 60.85 39.63 16.73 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.032 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.5 m -131.46 130.88 43.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.779 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.586 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 97.7 t -119.01 136.21 56.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.233 -176.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.469 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 99.5 mtt180 -110.94 110.39 20.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.615 178.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.89 94.26 6.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -93.13 133.11 36.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.932 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 ttt-85 -85.04 106.67 16.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.093 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.3 -48.55 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.032 0.444 . . . . 0.0 110.432 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -90.19 150.08 22.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.686 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 17.1 p -121.81 -91.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.59 -107.82 3.44 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.231 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.77 -2.61 11.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.837 2.358 . . . . 0.0 112.326 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.686 ' O ' ' HB ' ' A' ' 85' ' ' THR . 96.3 m-85 -123.01 155.13 37.46 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -95.24 -37.55 10.97 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.9 0.381 . . . . 0.0 110.494 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -149.51 146.65 27.5 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 54.7 ttm -160.02 110.67 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 0.0 111.29 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -128.72 113.62 15.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.877 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.524 HG23 ' HG2' ' A' ' 110' ' ' GLN . 44.5 mt -95.16 113.53 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.516 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.575 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 38.4 t -93.84 120.79 43.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.397 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.665 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.2 m0 -97.57 98.22 9.72 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.843 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 48.5 mt-10 -91.0 114.17 26.62 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.409 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -91.48 109.26 20.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.464 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.78 121.21 43.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.046 0.451 . . . . 0.0 111.287 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.41 122.68 18.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.533 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' ' 103' ' ' GLY . 1.9 m -135.06 153.96 51.86 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.17 -14.46 57.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.318 0.58 . . . . 0.0 110.335 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.89 17.9 20.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.596 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.502 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 135.34 -169.23 23.48 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.272 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.3 m -109.43 117.3 33.67 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -91.44 102.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 44.7 ttp -92.98 118.64 31.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.843 ' HB2' ' HB2' ' A' ' 96' ' ' GLU . 35.8 mtp85 -103.21 114.62 29.06 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.489 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 3.8 m0 -89.39 82.49 6.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.845 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.575 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 8.7 m -87.64 94.97 9.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.538 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 85.8 mt-30 -91.64 109.38 20.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.786 -177.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -95.73 100.75 12.43 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -128.37 169.47 14.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.892 0.377 . . . . 0.0 110.443 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.34 128.44 12.76 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.522 ' C ' ' HD2' ' A' ' 116' ' ' PRO . 39.1 mtp -92.95 -119.61 0.09 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 119.118 -0.468 . . . . 0.0 110.139 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 114' ' ' MET . 23.5 mtpp 109.22 -32.75 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.037 1.335 . . . . 0.0 113.355 174.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.522 ' HD2' ' C ' ' A' ' 114' ' ' MET . 64.8 Cg_exo -44.75 159.31 0.13 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.278 1.319 . . . . 0.0 111.48 164.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -75.92 27.37 0.11 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.357 -173.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 116' ' ' PRO . . . -66.88 143.07 97.82 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.124 177.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.86 -44.54 46.52 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.905 2.404 . . . . 0.0 112.456 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.607 HG12 ' HD1' ' A' ' 124' ' ' TRP . 27.4 m -81.68 135.35 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.075 175.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.84 -177.57 3.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.35 -42.76 67.13 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.641 0.588 . . . . 0.0 111.342 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.04 -45.63 48.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.035 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.607 ' HD1' HG12 ' A' ' 120' ' ' VAL . 68.0 t-105 -69.16 -33.6 73.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.958 0.409 . . . . 0.0 110.254 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.514 ' CE ' ' HA ' ' A' ' 125' ' ' MET . 1.1 mmt -62.53 -38.93 91.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.088 173.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.517 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 87.8 m -56.55 -49.99 73.19 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.267 0.354 . . . . 0.0 110.989 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 8.8 t70 -57.22 -50.33 73.19 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.793 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -62.38 -47.4 84.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.41 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.92 -41.11 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.058 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -56.71 -48.83 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.874 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 38.6 mtt-85 -69.63 -51.25 36.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -64.54 -46.03 84.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.286 -174.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.8 m -68.02 -34.37 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.103 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -56.46 -48.64 76.66 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.0 m -68.91 -47.77 64.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.369 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -65.77 -46.47 78.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.727 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.411 ' HB3' HG21 ' A' ' 9' ' ' ILE . 89.3 mmm -68.28 -30.05 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.66 89.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.606 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.45 -48.1 81.12 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.03 0.443 . . . . 0.0 110.235 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.33 -42.57 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.276 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.492 ' HA ' HG22 ' A' ' 144' ' ' ILE . 1.1 tmt_? -59.74 -42.65 93.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.937 177.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 11.6 t70 -60.84 -49.44 77.45 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 143' ' ' ARG . 53.9 mmt-85 -62.74 -45.5 92.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.808 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 18' ' ' VAL . 17.5 tt -70.43 -31.54 47.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 121.126 -0.229 . . . . 0.0 111.475 -174.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.1 -35.38 66.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.452 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 99.4 mt-30 -61.31 -42.49 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.179 0.514 . . . . 0.0 109.724 173.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.23 85.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.324 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.424 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . . . -71.55 -20.64 62.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 111.551 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -83.92 -38.8 9.96 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.201 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.58 -50.37 65.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.392 0.615 . . . . 0.0 110.436 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.458 ' HE ' ' HB2' ' A' ' 155' ' ' SER . 45.0 mtt85 -117.38 119.65 35.76 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.819 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -87.46 -1.46 57.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.062 -174.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 15.0 t -159.22 169.74 23.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.243 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.428 ' HB2' HG21 ' A' ' 20' ' ' THR . . . -65.78 100.8 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.127 0.489 . . . . 0.0 110.872 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.458 ' HB2' ' HE ' ' A' ' 151' ' ' ARG . 10.6 m -86.17 118.9 25.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.677 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 40.6 t -84.66 143.9 10.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.513 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 53.4 tp -92.62 117.82 30.37 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.481 ' HB3' ' HG3' ' A' ' 161' ' ' GLU . . . -103.97 155.66 18.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 -174.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.456 ' HA ' ' HE1' ' A' ' 164' ' ' HIS . 18.6 t70 -91.73 -19.09 22.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.473 0.654 . . . . 0.0 109.569 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.5 tp -76.76 1.33 17.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.481 ' HG3' ' HB3' ' A' ' 158' ' ' ALA . 48.7 mt-10 -77.03 120.15 21.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.213 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -64.75 -43.36 93.57 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -120.13 113.65 20.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 168.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' HIS . . . . . 0.508 ' HB2' ' H ' ' A' ' 167' ' ' HIS . 66.8 m-70 -83.14 166.61 18.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.085 0.469 . . . . 0.0 111.184 -170.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.4 45.01 0.63 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.82 171.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -174.61 -52.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' HIS . . . . . 0.508 ' H ' ' HB2' ' A' ' 164' ' ' HIS . 78.9 t60 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.371 -0.823 . . . . 0.0 110.122 177.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.8 mtm . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.945 0.403 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -137.16 149.02 47.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.101 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -110.92 105.99 1.98 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -91.5 92.86 8.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.75 0.31 . . . . 0.0 110.234 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 129' ' ' ILE . 12.0 m -91.93 101.7 14.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.118 178.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -104.36 88.73 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.629 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -90.0 111.48 22.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.059 0.457 . . . . 0.0 109.822 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.573 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 32.5 mt-10 -103.91 116.36 32.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.708 -175.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 137' ' ' MET . 15.6 tt -126.56 134.46 66.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.143 0.497 . . . . 0.0 110.919 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.8 m -89.37 116.82 27.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.86 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.1 mt -102.23 127.72 55.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.865 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.58 68.22 10.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.153 0.502 . . . . 0.0 110.627 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.63 148.95 19.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.606 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.537 ' O ' HG23 ' A' ' 18' ' ' VAL . 20.4 Cg_endo -60.99 138.73 80.55 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.281 2.654 . . . . 0.0 112.344 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.49 ' HG2' ' OG1' ' A' ' 104' ' ' THR . 78.3 mtp -58.23 -36.1 72.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.56 -172.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.17 -56.03 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -174.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.651 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 22.6 tp -64.21 -32.67 74.34 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 122.458 -0.151 . . . . 0.0 111.246 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 14' ' ' PRO . 96.2 t -60.52 -53.36 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.922 0.392 . . . . 0.0 110.082 175.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.414 ' CZ2' ' HB1' ' A' ' 71' ' ' ALA . 47.0 t-105 -56.13 -45.3 79.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.958 0.885 . . . . 0.0 109.655 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.651 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 4.5 m -57.5 -43.5 84.26 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.176 -1.374 . . . . 0.0 112.18 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 96.6 mmm -71.03 -40.11 71.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.47 0.176 . . . . 0.0 111.399 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.6 p -75.82 -14.16 60.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.34 . . . . 0.0 111.494 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -77.94 -24.98 48.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.734 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.474 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 13.4 t0 -79.23 81.97 5.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.589 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 28.6 pt -65.7 -24.92 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.805 -171.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.22 -22.91 61.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 111.315 -175.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HZ3' ' CG ' ' A' ' 24' ' ' ASP . 56.0 mttp -100.07 9.12 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.589 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 41.0 m0 -56.78 -48.27 97.58 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.769 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 15.5 Cg_endo -57.81 -19.74 40.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.391 2.061 . . . . 0.0 113.085 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.24 -23.98 77.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.832 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.39 -47.33 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.178 0.513 . . . . 0.0 110.398 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -78.91 166.38 22.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.468 -176.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 p -124.74 29.68 6.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -125.86 -25.41 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -174.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -117.27 160.31 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.228 -0.295 . . . . 0.0 111.207 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.93 -63.0 1.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.325 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.579 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 35.9 m -118.39 111.71 19.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.965 0.412 . . . . 0.0 111.002 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.1 t -102.39 103.3 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -103.56 132.43 49.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -174.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.535 HG22 HD11 ' A' ' 25' ' ' ILE . 21.5 t -77.89 125.61 37.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.227 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.9 mt -95.2 -19.73 19.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.353 0.596 . . . . 0.0 109.852 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.18 -176.85 23.99 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -156.23 137.53 13.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 117.614 0.707 . . . . 0.0 111.856 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.663 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 38.7 t70 -91.83 72.5 5.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.676 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 61.72 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.542 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -95.12 -27.78 15.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.782 0.325 . . . . 0.0 110.905 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.709 ' HG2' HG22 ' A' ' 70' ' ' VAL . 97.3 mttt -79.97 97.31 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.748 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 69' ' ' ARG . 10.9 p -89.2 121.17 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.505 0.669 . . . . 0.0 110.309 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 m -100.63 113.9 27.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.618 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.466 ' HB3' HD12 ' A' ' 25' ' ' ILE . 43.6 p90 -123.71 155.99 36.8 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.517 0.675 . . . . 0.0 111.679 -176.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -102.86 113.04 26.14 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.677 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 64' ' ' SER . 13.1 mt -85.32 90.66 7.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 64.2 m -83.8 97.77 9.35 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.633 0.73 . . . . 0.0 109.042 172.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.5 ttt -82.77 157.33 23.28 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.123 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 18.3 p-80 -58.72 139.17 86.35 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.393 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HG3' HG22 ' A' ' 62' ' ' VAL . 26.6 Cg_exo -62.63 140.05 78.93 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.597 2.198 . . . . 0.0 112.029 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.608 ' HB2' ' CZ2' ' A' ' 63' ' ' TRP . 17.7 t70 -79.58 170.04 17.14 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.36 -21.12 63.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.331 0.586 . . . . 0.0 109.948 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.43 -25.0 68.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.779 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.42 -2.61 68.03 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.098 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -83.09 129.64 35.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.431 HG22 ' HG3' ' A' ' 56' ' ' PRO . 41.6 t -96.44 108.56 21.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 176.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.608 ' CZ2' ' HB2' ' A' ' 57' ' ' ASP . 4.7 m0 -79.34 103.49 9.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.312 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 17.0 t -125.64 102.79 7.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.1 p90 -121.61 171.63 8.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.952 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.7 t -96.4 144.64 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.076 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -143.11 141.46 31.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.832 0.348 . . . . 0.0 110.184 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -109.4 128.47 55.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.374 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 30.9 ttp85 -118.37 105.84 12.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.867 0.365 . . . . 0.0 110.048 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.709 HG22 ' HG2' ' A' ' 47' ' ' LYS . 40.0 t -90.54 118.2 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.798 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.434 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -105.91 113.65 27.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.537 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.1 100.79 18.4 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 14.4 Cg_exo -69.67 -15.68 37.54 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.264 2.643 . . . . 0.0 112.897 -175.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.3 t -81.37 -41.32 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.321 0.581 . . . . 0.0 110.145 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 m -89.19 -13.66 37.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.691 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? 59.52 41.61 18.83 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.906 -175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.1 m -134.15 132.51 39.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.331 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.544 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 48.4 t -114.77 136.66 50.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.038 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -125.31 117.54 24.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.813 0.34 . . . . 0.0 110.631 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -111.3 113.68 26.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.607 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.459 ' HB3' ' ND2' ' A' ' 92' ' ' ASN . 13.2 pt20 -112.11 141.97 45.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.627 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.621 HH21 ' HG3' ' A' ' 91' ' ' MET . 39.6 mtm180 -98.2 135.37 39.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.436 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.5 t -76.47 -34.93 25.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.359 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.47 138.51 43.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.181 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 22.5 p -116.1 -156.95 0.63 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.761 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.79 -107.98 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.75 -27.09 44.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.367 2.045 . . . . 0.0 110.77 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.604 ' O ' ' HB ' ' A' ' 85' ' ' THR . 74.5 m-85 -94.87 135.54 36.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.202 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -81.06 -36.95 29.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.449 0.642 . . . . 0.0 109.856 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.603 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 49.6 t80 -129.95 135.78 48.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.848 -176.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.621 ' HG3' HH21 ' A' ' 82' ' ' ARG . 83.2 mmm -141.99 99.84 3.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.677 0.275 . . . . 0.0 111.465 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 81' ' ' GLN . 12.3 t-20 -131.42 107.46 8.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 20.0 mt -92.42 117.4 35.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.811 0.339 . . . . 0.0 110.419 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.578 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 39.4 t -105.69 117.18 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.972 -176.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.544 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 49.3 m0 -102.0 101.09 11.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.7 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.46 ' HB3' ' HB3' ' A' ' 107' ' ' ARG . 28.5 tt0 -99.96 125.42 45.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -102.41 114.53 28.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.304 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.69 132.61 51.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.644 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.1 138.42 40.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.135 0.493 . . . . 0.0 110.87 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.466 ' OG1' HG23 ' A' ' 105' ' ' VAL . 18.4 m -140.28 161.89 36.59 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.472 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.25 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.22 5.15 31.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 156.13 -169.1 33.65 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 119.023 -1.56 . . . . 0.0 113.352 -176.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.49 ' OG1' ' HG2' ' A' ' 15' ' ' MET . 5.3 m -98.91 123.54 43.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.471 -0.365 . . . . 0.0 111.185 -176.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.466 HG23 ' OG1' ' A' ' 100' ' ' THR . 69.6 t -86.27 112.59 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 170.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 44.8 ttp -94.08 115.77 28.11 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.573 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 19.9 ttm-85 -88.63 98.15 11.51 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.89 85.62 6.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.123 0.487 . . . . 0.0 109.838 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.578 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 56.8 m -89.14 98.93 12.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.448 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -89.06 95.58 10.37 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.77 100.24 13.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.603 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -123.17 167.64 13.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.252 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.603 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -144.95 128.6 17.15 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.493 176.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.426 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 77.1 mtp -105.81 168.74 8.91 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.362 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.503 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 10.2 mtpp -169.79 -44.43 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 123.776 0.673 . . . . 0.0 111.149 -176.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.503 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 51.6 Cg_exo -43.28 161.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.365 1.415 0 C-N-CA 122.075 1.85 . . . . 0.0 112.565 170.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.04 31.85 0.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.628 0.728 . . . . 0.0 111.03 -168.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -63.71 139.79 97.69 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.374 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 13.8 Cg_exo -70.44 -2.2 10.27 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.128 2.552 . . . . 0.0 112.81 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.6 m -110.09 124.4 66.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.2 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.83 175.65 10.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.874 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -55.37 -45.31 76.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.599 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.92 98.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.675 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -64.35 -42.54 96.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.979 0.419 . . . . 0.0 110.048 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.426 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 90.9 mmm -69.47 -37.84 77.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 91.7 m -57.69 -44.88 86.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.994 0.426 . . . . 0.0 109.999 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.81 -46.28 91.16 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.638 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -57.43 -49.8 75.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.712 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.45 ' CG2' HG21 ' A' ' 5' ' ' THR . 98.8 mt -63.91 -37.0 78.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.122 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -52.06 -47.71 64.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.539 0.209 . . . . 0.0 110.846 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -67.65 -53.75 25.33 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.192 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.03 -48.97 78.47 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.271 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' A' ' 137' ' ' MET . 28.3 t -60.61 -52.5 64.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.775 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -56.09 -35.19 66.73 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 38.8 m -69.34 -54.38 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.989 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -69.7 -33.52 72.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.68 -176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.495 ' HB3' HG21 ' A' ' 9' ' ' ILE . 29.7 mmt -64.82 -38.62 91.61 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.67 81.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.97 0.414 . . . . 0.0 110.572 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.7 tt -67.94 -49.33 62.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.028 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.511 ' O ' HG12 ' A' ' 144' ' ' ILE . 65.9 mt -63.69 -48.94 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.682 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -41.72 72.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.996 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.593 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 14.1 t70 -60.54 -48.4 81.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.067 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -68.08 -36.11 79.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.162 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 140' ' ' ILE . 36.0 mm -59.47 -47.39 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.144 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.44 -31.27 71.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.015 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 50.0 mt-30 -63.2 -52.47 62.17 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.088 0.471 . . . . 0.0 110.301 174.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.83 91.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.143 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.47 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -73.41 -15.05 61.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.67 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -85.59 -30.97 22.86 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.526 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -80.42 -57.74 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.512 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 62.52 99.14 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.265 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -73.9 -32.65 63.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.335 0.588 . . . . 0.0 109.557 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.9 p -74.83 144.99 43.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.666 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -94.21 173.84 7.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.709 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 16.4 m -73.41 -53.57 10.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.286 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 65.6 t -109.68 114.97 48.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.944 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 52.1 tp -86.04 96.0 9.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.337 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -104.37 -168.15 1.45 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.479 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.68 153.79 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.329 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.45 -11.88 59.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 110.045 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 163' ' ' HIS . 22.8 mt-10 -137.22 133.33 35.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.42 -0.809 . . . . 0.0 108.89 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -80.94 85.64 6.2 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.849 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' HIS . . . . . 0.422 ' CD2' ' HB2' ' A' ' 161' ' ' GLU . 33.1 m-70 -71.88 131.24 42.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -78.64 -29.24 45.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.146 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -108.34 90.89 3.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.09 0.471 . . . . 0.0 109.799 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -80.32 114.29 19.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.067 -179.233 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 121.042 0.448 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.16 154.89 45.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.993 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.92 90.77 1.19 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.969 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -93.03 89.52 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.114 0.483 . . . . 0.0 109.977 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.549 ' HG1' ' HE2' ' A' ' 112' ' ' PHE . 13.3 m -101.16 113.51 26.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.824 -175.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -99.18 95.98 7.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.494 0.664 . . . . 0.0 110.555 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.829 HD21 HG22 ' A' ' 129' ' ' ILE . 91.9 m-20 -91.62 94.87 9.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.552 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.641 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 24.4 mt-10 -101.53 110.7 22.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.515 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.524 HG21 ' HB3' ' A' ' 137' ' ' MET . 14.5 tt -118.6 131.7 70.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.112 0.482 . . . . 0.0 110.294 175.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.8 m -84.22 113.22 20.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.773 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 144' ' ' ILE . 30.8 mm -86.56 138.93 18.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.242 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.46 37.97 0.53 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 0.0 111.053 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.53 146.57 32.99 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.024 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' O ' HG23 ' A' ' 18' ' ' VAL . 46.5 Cg_endo -69.29 161.8 44.4 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.679 2.253 . . . . 0.0 112.234 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.475 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 83.6 mtp -60.22 -20.94 61.01 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.709 ' HB3' HG21 ' A' ' 153' ' ' THR . 27.4 mt-10 -52.79 -62.74 1.45 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.451 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.94 -32.74 61.84 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.184 -0.207 . . . . 0.0 110.89 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.475 ' HB ' ' HA ' ' A' ' 15' ' ' MET . 72.9 t -56.5 -54.81 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.027 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -65.11 -42.32 94.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -32.83 63.88 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.262 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.3 mmm -92.36 -41.52 10.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.5 p -74.93 -24.4 58.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.74 0.305 . . . . 0.0 111.734 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.501 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 65.0 t30 -72.01 -24.92 61.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.289 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.7 94.84 8.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.1 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 40' ' ' VAL . 36.0 pt -70.35 -19.73 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.39 -171.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.65 -8.39 57.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -103.0 -2.85 26.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.531 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 45.6 m0 -57.96 -51.8 79.15 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.531 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 45.3 Cg_exo -57.61 -27.54 77.49 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 122.324 2.016 . . . . 0.0 113.061 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.5 -39.04 57.4 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.896 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mp -86.33 -48.3 8.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.714 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CD2' HD11 ' A' ' 140' ' ' ILE . 0.3 OUTLIER -97.19 103.37 15.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 m -88.47 82.78 6.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.218 0.532 . . . . 0.0 111.198 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -159.86 -46.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.334 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.449 ' HD1' ' SD ' ' A' ' 54' ' ' MET . 29.6 m-85 -79.46 130.97 35.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.309 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.47 86.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.838 0.352 . . . . 0.0 110.998 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.4 t -165.96 153.42 10.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.295 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.512 HG21 ' HB2' ' A' ' 28' ' ' TRP . 98.9 t -110.85 103.22 15.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -94.25 131.7 39.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.285 -173.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.585 HG22 HD11 ' A' ' 25' ' ' ILE . 38.3 t -78.83 105.24 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.895 177.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.3 tp -82.0 -27.27 33.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.389 0.614 . . . . 0.0 109.563 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.37 -176.56 35.31 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.116 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' A' ' 48' ' ' VAL . 64.6 mtp180 -132.84 124.93 28.88 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.833 0.316 . . . . 0.0 110.522 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -81.88 68.92 8.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 57.68 -85.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.62 -1.173 . . . . 0.0 112.286 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.08 -12.93 42.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.971 0.415 . . . . 0.0 110.565 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -107.0 165.84 11.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.168 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.579 HG13 ' HB3' ' A' ' 69' ' ' ARG . 7.3 p -126.09 123.54 64.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 110.035 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.1 m -101.68 116.13 32.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.237 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 67' ' ' SER . 36.1 p90 -119.65 146.28 45.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.134 0.492 . . . . 0.0 110.819 -175.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -110.56 117.09 32.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.715 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.5 mt -83.46 113.68 20.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.6 p -95.09 121.55 36.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.865 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.493 ' HB2' ' HB2' ' A' ' 63' ' ' TRP . 86.9 mmm -106.42 168.57 9.07 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 7.4 p80 -63.5 134.6 95.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.025 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.541 ' HG3' HG22 ' A' ' 62' ' ' VAL . 22.7 Cg_exo -65.23 153.0 80.34 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.847 2.364 . . . . 0.0 112.35 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.19 164.29 13.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.614 174.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.37 61.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 110.869 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.03 -29.98 66.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.548 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.4 -3.39 20.19 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.633 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -73.96 116.42 14.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.829 0.347 . . . . 0.0 110.435 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.541 HG22 ' HG3' ' A' ' 56' ' ' PRO . 43.6 t -80.67 118.61 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.491 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.493 ' HB2' ' HB2' ' A' ' 54' ' ' MET . 19.7 m0 -79.87 117.26 20.57 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -150.34 136.31 18.5 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.48 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.499 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 7.4 p90 -137.53 137.17 38.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.039 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.0 t -83.11 140.46 16.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.423 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 16.5 m -140.36 155.53 46.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.471 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.84 121.1 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.681 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.579 ' HB3' HG13 ' A' ' 48' ' ' VAL . 46.3 ttt-85 -105.28 116.93 32.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.38 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.31 114.1 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.186 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.69 109.3 20.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.506 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 17.8 t70 -97.21 111.65 58.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.977 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 5.0 Cg_exo -78.38 -11.45 15.9 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.259 2.639 . . . . 0.0 113.028 -175.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -82.83 -51.28 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.282 0.563 . . . . 0.0 110.077 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m -83.83 -19.39 35.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.749 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 61.13 50.81 4.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.151 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.3 m -134.63 132.6 39.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.806 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.53 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 60.4 t -114.28 124.97 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.634 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -108.91 115.12 29.47 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.196 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.01 96.06 6.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.368 0.604 . . . . 0.0 109.879 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -97.7 134.03 41.43 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.381 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.611 HH12 ' HA ' ' A' ' 85' ' ' THR . 41.0 mtm105 -95.11 118.01 31.17 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.332 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.4 t -71.7 -40.85 70.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.211 0.529 . . . . 0.0 109.717 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.499 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 43.4 mt-10 -102.02 149.14 24.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.042 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.611 ' HA ' HH12 ' A' ' 82' ' ' ARG . 7.0 t -151.43 176.21 11.51 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.029 -176.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . -126.08 -97.24 1.05 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.772 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.44 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 4.7 Cg_exo -75.28 2.29 6.93 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.887 2.391 . . . . 0.0 112.434 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -109.06 137.02 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -82.55 -30.44 29.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.278 0.561 . . . . 0.0 110.064 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -150.98 153.05 34.45 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.0 ttm -166.91 110.02 0.71 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.179 0.514 . . . . 0.0 111.821 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -119.39 116.97 27.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.526 HG23 ' HG2' ' A' ' 110' ' ' GLN . 40.7 mt -95.28 103.07 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.871 0.367 . . . . 0.0 110.55 -175.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 48.8 t -90.39 109.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.048 -178.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 30.4 m0 -86.1 94.26 9.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.392 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -96.12 125.31 40.56 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -106.12 114.79 29.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.878 0.371 . . . . 0.0 110.693 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.43 101.94 11.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.296 0.57 . . . . 0.0 110.091 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.433 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 41.7 tt0 -61.91 129.51 41.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.715 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -128.46 169.44 14.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.59 -42.63 98.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.659 0.266 . . . . 0.0 111.68 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.89 -39.19 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.525 -175.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 11' ' ' ILE . . . -166.68 -169.21 29.99 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.449 -0.882 . . . . 0.0 112.268 -178.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m -99.9 125.41 45.88 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.542 0.211 . . . . 0.0 111.048 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.579 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 74.9 t -78.57 100.46 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 170.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 46.0 ttp -83.88 105.31 14.67 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.641 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 23.2 ttt180 -105.68 103.3 12.78 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.027 -172.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -86.28 92.25 8.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.845 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.4 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 16.6 m -90.71 96.4 10.62 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.496 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.526 ' HG2' HG23 ' A' ' 93' ' ' ILE . 82.7 mt-30 -89.26 114.08 25.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.985 0.421 . . . . 0.0 110.879 -177.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -91.8 92.66 8.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.549 ' HE2' ' HG1' ' A' ' 5' ' ' THR . 48.7 p90 -127.38 159.2 35.18 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.533 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.37 127.68 24.48 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.808 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.816 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 81.1 mtp -116.94 -156.55 0.63 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 114' ' ' MET . 34.1 mtmm 101.54 -14.79 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 58.3 Cg_endo -72.13 87.29 0.89 Allowed 'Trans proline' 0 C--N 1.369 1.619 0 CA-C-N 122.725 2.009 . . . . 0.0 112.569 177.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 38.6 t70 60.25 66.25 0.98 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.59 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -141.97 131.07 12.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.04 -23.74 46.01 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.861 2.374 . . . . 0.0 112.147 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.4 m -99.11 136.72 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.361 0.6 . . . . 0.0 110.612 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.673 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 23.2 t70 -93.88 168.49 10.94 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.463 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.32 -37.67 62.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.0 86.24 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.535 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.673 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 99.1 m95 -62.86 -43.52 98.57 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.988 0.423 . . . . 0.0 110.529 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.816 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 98.2 mmm -70.92 -31.69 68.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.463 -177.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 86.4 m -58.5 -51.14 71.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 110.297 176.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.39 -42.59 83.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.892 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.01 -53.64 56.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.62 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.829 HG22 HD21 ' A' ' 7' ' ' ASN . 72.0 mt -61.69 -39.05 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.736 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.534 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 3.6 t-20 -57.26 -51.05 70.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 134' ' ' ARG . 46.7 mtm105 -74.82 -38.75 61.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.73 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.13 -36.03 82.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 110.444 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.6 t -66.86 -39.06 87.45 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 131' ' ' ARG . 38.2 ttt180 -54.37 -44.48 72.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.218 174.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 25.3 m -67.63 -52.5 37.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.357 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -65.16 -45.06 86.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.856 0.36 . . . . 0.0 111.878 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.524 ' HB3' HG21 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -73.39 -19.53 60.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.111 -176.459 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.56 -46.91 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 168.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.96 -45.41 82.86 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.159 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' A' ' 32' ' ' PHE . 81.0 mt -66.01 -43.55 92.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.247 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -56.96 -49.34 76.01 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.137 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 4.1 m-20 -56.32 -46.89 79.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.021 0.439 . . . . 0.0 110.454 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -71.06 -29.45 65.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.968 -176.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 11' ' ' ILE . 21.0 mm -66.47 -44.24 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.049 0.452 . . . . 0.0 109.888 172.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.66 -38.13 86.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.337 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 98.4 mt-30 -63.13 -35.83 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.487 175.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.6 62.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.658 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.27 68.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.074 0.464 . . . . 0.0 110.838 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -71.75 -29.39 67.52 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 175.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -77.08 -48.67 17.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.964 0.411 . . . . 0.0 110.111 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -132.93 125.18 29.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.681 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -104.89 -178.1 3.56 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.709 HG21 ' HB3' ' A' ' 16' ' ' GLU . 18.8 p -95.34 145.26 25.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.081 0.467 . . . . 0.0 111.009 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -80.8 164.44 22.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.947 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.7 p -80.78 -29.15 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.048 0.451 . . . . 0.0 109.984 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 39.1 t -87.53 109.87 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.552 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 90.6 mt -91.6 -13.65 31.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -90.53 171.23 9.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.6 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -87.95 95.3 10.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.095 0.474 . . . . 0.0 110.099 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 62.6 tp -118.22 104.55 10.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.417 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.22 147.21 28.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.257 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -92.16 90.19 7.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 168.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -72.6 168.46 18.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.034 -174.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -76.37 -21.17 56.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.861 -174.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -80.77 67.93 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.533 0.682 . . . . 0.0 110.732 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -145.63 -96.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 171.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 . . . . . 0 C--O 1.245 0.817 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 175.161 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.61 111.74 18.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.806 0.336 . . . . 0.0 110.467 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.08 110.43 3.25 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.866 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -91.32 78.26 5.77 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 HG23 ' A' ' 126' ' ' THR . 21.8 m -83.7 96.29 8.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.986 0.422 . . . . 0.0 110.932 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 38.1 t70 -105.84 94.97 5.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.275 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.664 ' OD1' ' HA ' ' A' ' 130' ' ' ASN . 0.8 OUTLIER -104.33 142.47 34.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.658 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.548 ' HB2' ' HG3' ' A' ' 107' ' ' ARG . 39.0 tt0 -130.98 148.46 52.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 -172.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 137' ' ' MET . 13.5 tt -156.07 139.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.987 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.1 m -98.94 111.19 23.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.903 0.383 . . . . 0.0 110.919 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.6 mt -90.47 127.77 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.285 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.92 78.24 9.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.162 0.506 . . . . 0.0 110.758 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.64 152.02 10.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.705 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' O ' HG23 ' A' ' 18' ' ' VAL . 32.1 Cg_exo -58.63 133.01 51.52 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.66 2.24 . . . . 0.0 111.886 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.416 ' HG2' ' OG1' ' A' ' 104' ' ' THR . 68.1 mtp -54.5 -30.93 54.97 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.612 -175.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.44 -62.8 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.606 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 7.2 mp -61.18 -32.33 72.08 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.485 HG22 HG21 ' A' ' 144' ' ' ILE . 84.1 t -59.88 -55.25 25.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.705 0.288 . . . . 0.0 110.619 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -63.78 -39.16 93.58 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.294 0.569 . . . . 0.0 109.618 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.606 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 18.8 m -56.41 -46.49 80.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.906 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.1 mtp -76.44 -32.81 58.67 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.8 p -85.54 -11.55 53.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.654 0.264 . . . . 0.0 111.544 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.581 ' HA ' HH22 ' A' ' 69' ' ' ARG . 48.1 t-20 -62.18 -61.99 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -71.95 124.95 26.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.849 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.635 HD11 HG22 ' A' ' 40' ' ' VAL . 27.7 pt -76.65 -19.59 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.074 -176.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.61 -5.91 47.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.56 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -95.92 -14.17 23.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.402 . . . . 0.0 110.194 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.556 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 46.6 m0 -58.79 -46.1 99.58 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.653 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 19.6 Cg_endo -61.15 -13.33 27.44 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 122.189 1.926 . . . . 0.0 112.811 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.62 -21.77 61.28 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.532 176.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.033 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 7.9 mp -102.05 -42.79 5.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.4 106.63 18.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.082 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -62.58 -27.31 69.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.927 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -77.43 -11.95 59.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.776 -175.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -92.25 99.94 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.71 -30.19 59.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.624 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 66.1 m -152.57 142.82 22.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.785 177.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.412 HG21 ' HD3' ' A' ' 29' ' ' PRO . 61.8 t -127.46 101.57 7.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 172.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -93.81 134.31 36.29 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 0.0 111.203 -173.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.635 HG22 HD11 ' A' ' 25' ' ' ILE . 6.4 t -89.67 112.76 24.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.077 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 51' ' ' ARG . 9.0 mp -85.78 -23.02 27.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.973 0.415 . . . . 0.0 110.407 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.47 158.88 10.56 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.079 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG2' HG23 ' A' ' 48' ' ' VAL . 57.8 mtp180 -138.54 110.59 7.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.977 0.418 . . . . 0.0 110.749 177.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.655 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 8.6 m-20 -93.94 65.76 3.54 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 63.46 -85.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.93 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.54 -17.91 29.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.335 0.588 . . . . 0.0 110.21 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.655 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 60.9 mttm -89.83 133.14 34.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.553 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 ' HB3' ' A' ' 69' ' ' ARG . 4.8 p -130.84 118.61 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.382 0.61 . . . . 0.0 110.382 173.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -98.71 115.86 29.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.565 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -127.06 158.3 37.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.019 0.437 . . . . 0.0 110.972 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HB2' HD11 ' A' ' 41' ' ' LEU . 43.8 ttp180 -125.72 120.05 29.62 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.714 ' O ' ' HA ' ' A' ' 64' ' ' SER . 82.2 mt -89.5 114.27 25.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.847 -177.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.518 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 97.3 m -100.22 110.98 23.24 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.667 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.6 mtt -92.45 -163.5 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.22 0.533 . . . . 0.0 111.336 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 21.7 p-80 -60.46 148.03 81.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.458 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 55' ' ' HIS . 8.1 Cg_exo -73.61 127.78 12.02 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.647 2.231 . . . . 0.0 110.695 169.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -72.3 165.55 24.24 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.44 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.94 -30.97 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.571 0.348 . . . . 0.0 111.76 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -79.73 -4.76 53.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 110.968 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.01 17.89 52.29 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.489 -175.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -89.84 111.01 21.91 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.77 120.52 37.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -81.19 88.71 6.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.36 0.6 . . . . 0.0 110.081 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.714 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 9.4 t -125.65 124.85 42.06 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.71 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 84' ' ' GLU . 12.9 p90 -134.53 147.95 50.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.025 0.44 . . . . 0.0 111.384 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.66 137.51 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.925 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.5 m -146.03 150.65 36.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.037 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -107.77 135.71 48.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.981 0.419 . . . . 0.0 110.55 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.581 HH22 ' HA ' ' A' ' 23' ' ' ASN . 33.6 ttt180 -124.83 130.18 51.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.916 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.4 t -111.31 121.31 63.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.246 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -96.63 106.11 18.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.808 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.548 ' HB3' ' O ' ' A' ' 77' ' ' THR . 0.6 OUTLIER -99.04 109.75 55.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.03 0.443 . . . . 0.0 110.982 177.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -87.12 -3.34 7.93 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.836 2.358 . . . . 0.0 112.561 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.1 t -84.35 -51.51 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.005 0.431 . . . . 0.0 110.399 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -100.05 3.88 44.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.251 0.548 . . . . 0.0 109.856 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.487 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 82.0 mtt180 60.79 36.27 19.25 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.478 175.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.548 ' O ' ' HB3' ' A' ' 72' ' ' ASP . 86.8 m -122.05 124.11 43.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.012 -175.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.59 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 44.6 t -98.75 129.83 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.523 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 27.5 mmt180 -105.56 98.88 8.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.31 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.7 101.45 9.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.868 0.366 . . . . 0.0 110.089 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' HB3' HD22 ' A' ' 92' ' ' ASN . 13.1 pt20 -112.51 140.52 47.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.307 0.575 . . . . 0.0 111.029 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -84.72 112.84 20.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.29 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.3 t -72.83 -36.2 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.534 ' HB3' ' HB2' ' A' ' 65' ' ' TRP . 7.2 tp10 -99.73 101.79 13.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.385 175.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -101.03 -80.35 0.49 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -176.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.49 -102.73 2.04 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.274 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.62 -14.26 43.87 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.05 2.5 . . . . 0.0 112.145 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -111.83 165.12 12.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.636 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.845 ' HB2' ' HB2' ' A' ' 115' ' ' LYS . 64.5 tt0 -99.77 -56.09 2.48 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.93 0.395 . . . . 0.0 110.1 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -137.35 127.02 25.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.031 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 84.0 mtp -131.25 114.73 15.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.551 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.408 HD22 ' HB3' ' A' ' 81' ' ' GLN . 21.2 t-20 -117.3 109.94 17.46 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.583 HG23 ' HG2' ' A' ' 110' ' ' GLN . 48.8 mt -92.23 111.82 24.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.972 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.584 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 41.4 t -98.25 111.35 27.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.768 -178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.59 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 11.7 m0 -92.54 96.04 9.98 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 174.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -96.83 113.13 24.66 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.836 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -90.4 117.56 29.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.93 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.536 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.59 118.69 37.33 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.327 0.584 . . . . 0.0 111.092 -175.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.487 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 45.3 tt0 -63.76 113.36 3.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.962 176.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.9 m -130.78 157.93 41.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.21 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.29 -17.51 62.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.871 -176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -92.98 -22.98 18.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.915 0.388 . . . . 0.0 111.198 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.61 -169.27 32.86 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.047 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.416 ' OG1' ' HG2' ' A' ' 15' ' ' MET . 41.7 m -80.52 108.33 14.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.87 0.366 . . . . 0.0 110.566 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 40.3 t -81.35 115.58 24.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.054 0.454 . . . . 0.0 110.182 177.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 46.6 ttp -103.57 112.24 25.07 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.548 ' HG3' ' HB2' ' A' ' 8' ' ' GLU . 23.8 ttm105 -112.23 114.05 26.62 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.117 -176.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -92.49 91.99 7.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.256 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.584 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 5.4 m -83.96 92.5 7.84 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.623 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.583 ' HG2' HG23 ' A' ' 93' ' ' ILE . 67.1 mt-30 -89.14 90.95 8.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -92.73 101.6 14.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.161 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -121.99 148.91 44.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.395 0.616 . . . . 0.0 111.803 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -120.13 133.68 55.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.208 173.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 47.6 mtp -95.07 -175.54 3.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.087 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.845 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 86.3 tttt -158.55 -55.13 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -173.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 12.1 Cg_exo -71.94 -149.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.365 2.044 . . . . 0.0 112.854 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -58.03 -38.18 75.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.806 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 50.41 77.28 0.47 Allowed Pre-proline 0 CA--C 1.534 0.349 0 O-C-N 123.817 0.698 . . . . 0.0 112.135 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.04 -32.08 54.15 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.434 2.089 . . . . 0.0 111.154 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.3 m -98.51 133.35 41.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.396 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.44 170.37 12.76 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.71 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -56.37 -41.18 75.78 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.26 98.62 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.404 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -69.99 -40.32 75.4 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.233 -0.587 . . . . 0.0 109.737 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.42 ' O ' HG13 ' A' ' 129' ' ' ILE . 82.4 mmm -61.94 -54.8 36.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.566 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.559 HG23 HG23 ' A' ' 5' ' ' THR . 47.7 m -56.05 -41.84 75.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.942 0.401 . . . . 0.0 111.323 -178.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.2 -39.23 68.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.449 . . . . 0.0 111.02 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -62.76 -48.06 80.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.112 0.482 . . . . 0.0 110.334 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.427 HD13 ' OE1' ' A' ' 110' ' ' GLN . 91.4 mt -62.44 -30.5 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.372 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.664 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 3.6 t-20 -58.66 -50.58 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.58 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -63.04 -40.62 98.27 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.955 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -61.88 -46.98 87.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.464 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.7 m -62.12 -42.35 99.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.677 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.0 ttp85 -53.36 -54.05 42.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.038 0.446 . . . . 0.0 110.158 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 29.1 m -66.69 -53.57 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.878 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -71.09 -44.3 65.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.52 ' HB3' HG21 ' A' ' 9' ' ' ILE . 19.8 mmt -74.14 -25.72 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.947 -174.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.95 85.54 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 171.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.26 -45.0 96.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.183 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.509 HG23 HD23 ' A' ' 31' ' ' LEU . 72.0 mt -62.35 -44.21 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.229 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.405 ' HE ' HD11 ' A' ' 9' ' ' ILE . 33.6 ttp85 -57.39 -51.89 67.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.521 0.201 . . . . 0.0 110.773 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -38.48 88.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 1.033 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 2.2 tpm_? -60.23 -50.48 73.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.979 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.485 HG21 HG22 ' A' ' 18' ' ' VAL . 66.0 mt -68.75 -45.49 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.73 -43.46 94.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.967 0.413 . . . . 0.0 110.231 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -59.23 -54.76 43.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.877 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.92 81.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.484 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 152' ' ' ARG . . . -71.3 -37.5 71.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.308 177.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -70.35 -45.11 56.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.755 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.22 -37.72 88.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.681 0.277 . . . . 0.0 111.384 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -93.05 -1.61 56.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -175.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' A' ' 148' ' ' ALA . 21.6 ttp-105 -70.62 -31.97 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.455 0.645 . . . . 0.0 109.486 177.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 28.3 m -144.3 83.77 1.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.696 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -132.5 132.17 42.38 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.049 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 28.4 m 74.0 124.43 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 O-C-N 124.385 1.053 . . . . 0.0 111.173 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 52.3 t -56.48 -44.18 79.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.241 0.543 . . . . 0.0 109.936 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 94.1 mt -103.94 96.63 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 172.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -91.36 157.7 16.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.536 -174.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -71.19 -14.1 62.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.54 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.44 -25.58 68.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.167 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -91.1 111.86 23.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.541 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -80.37 93.47 5.97 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -76.09 175.0 9.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.576 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -94.81 0.2 54.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.92 0.391 . . . . 0.0 111.131 -177.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.78 148.49 33.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.091 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -85.39 -43.88 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.04 0.448 . . . . 0.0 109.967 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 . . . . . 0 C--O 1.245 0.836 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.606 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 ttm . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.831 0.348 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -166.46 137.96 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.632 ' HA3' ' CE1' ' A' ' 112' ' ' PHE . . . -124.33 112.84 1.88 Allowed Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.064 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -109.12 101.02 10.11 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.767 0.318 . . . . 0.0 110.175 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 m -112.16 109.41 19.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -95.61 103.12 14.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.515 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 40.2 m-80 -95.03 96.55 9.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.928 0.394 . . . . 0.0 110.251 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -97.51 137.11 36.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.303 -174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 tt -142.53 137.7 28.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.978 0.418 . . . . 0.0 110.758 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 m -96.55 112.05 23.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG23 ' HG3' ' A' ' 141' ' ' ARG . 57.7 mt -102.12 132.65 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.12 36.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.026 0.441 . . . . 0.0 111.545 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.09 147.39 44.54 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.391 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.28 137.26 80.86 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.817 2.344 . . . . 0.0 112.059 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.3 mtp -50.98 -38.04 48.53 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.86 -60.72 3.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.609 HD23 ' HB2' ' A' ' 148' ' ' ALA . 24.8 tp -63.63 -33.66 76.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.833 0.288 . . . . 0.0 111.468 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.6 t -60.23 -54.22 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.897 0.379 . . . . 0.0 110.396 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -57.73 -44.01 85.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.506 0.67 . . . . 0.0 109.451 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.599 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 17.0 m -57.77 -45.77 85.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.431 -1.258 . . . . 0.0 112.392 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 91.8 mtp -78.68 -40.74 33.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.69 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 24.7 p -72.21 -25.18 61.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -88.24 -10.88 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.55 0.204 . . . . 0.0 111.55 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -81.5 77.51 8.36 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.523 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 26.5 pt -67.48 -15.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.204 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.46 -13.62 61.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.328 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -117.78 21.74 12.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.0 111.146 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 9.7 m0 -54.46 -42.87 96.72 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 175.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -59.22 -8.12 6.05 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.424 2.082 . . . . 0.0 113.446 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.67 -10.52 67.24 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.861 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -120.24 -46.66 2.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -93.59 150.89 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.041 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.7 m -100.73 -28.9 12.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.598 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -75.72 -41.84 52.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.204 -174.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -78.81 95.65 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.383 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.52 -37.89 24.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.392 -177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.577 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 56.4 m -129.56 110.05 11.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.239 0.542 . . . . 0.0 111.426 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 28' ' ' TRP . 60.5 t -105.2 98.89 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.91 105.09 15.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -172.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.444 HG22 HD11 ' A' ' 25' ' ' ILE . 27.3 t -68.33 126.38 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.94 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.78 -37.62 11.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.954 0.407 . . . . 0.0 110.744 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.87 157.46 29.5 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.484 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -128.92 91.15 3.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.803 0.335 . . . . 0.0 110.736 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.484 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 8.1 m-20 -82.38 167.43 18.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -52.17 -39.92 60.74 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.481 0.488 . . . . 0.0 112.079 -173.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -132.94 15.71 4.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.053 0.454 . . . . 0.0 110.746 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 13.4 mptt -132.42 93.61 3.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.451 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.735 HG13 ' HB3' ' A' ' 69' ' ' ARG . 4.1 p -92.03 102.75 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.687 0.756 . . . . 0.0 109.505 172.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.7 m -81.75 118.32 22.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.41 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 69' ' ' ARG . 38.2 p90 -120.82 140.2 52.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.516 0.674 . . . . 0.0 110.96 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 51' ' ' ARG . 6.4 ttt180 -103.47 115.02 29.75 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.673 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 64' ' ' SER . 89.1 mt -87.95 113.17 23.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.19 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.577 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 18.2 m -108.86 120.59 42.95 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.74 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.7 mmt -95.03 161.46 14.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.705 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -61.17 134.67 93.17 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.224 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.477 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 78.1 Cg_exo -51.31 132.9 41.03 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.196 2.598 . . . . 0.0 112.602 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -81.92 -164.16 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.581 -176.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.44 -29.16 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.546 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.64 -19.46 61.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.275 0.56 . . . . 0.0 110.454 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.09 18.58 62.67 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.56 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 88.7 tttt -96.36 142.1 28.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.852 0.358 . . . . 0.0 110.245 -178.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.0 t -85.74 110.13 19.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.804 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -83.5 98.53 9.59 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.425 0.631 . . . . 0.0 110.771 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 15.4 m -118.98 124.32 46.73 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.613 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.538 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 13.2 p90 -128.6 142.95 50.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.037 0.446 . . . . 0.0 111.003 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.8 t -86.83 131.77 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.313 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -136.22 151.53 49.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.716 175.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -111.64 129.26 56.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.73 0.3 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.735 ' HB3' HG13 ' A' ' 48' ' ' VAL . 34.9 ttt85 -103.12 102.16 12.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.084 0.469 . . . . 0.0 110.102 176.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.93 97.92 7.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.746 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.417 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -91.65 96.36 10.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.096 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -96.46 107.36 35.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.539 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 7.7 Cg_exo -73.01 -21.2 21.0 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.909 2.406 . . . . 0.0 111.948 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.9 -45.16 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.255 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.69 12.07 29.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.918 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 56.98 34.2 24.55 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.984 0.421 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -124.14 118.1 26.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.248 -174.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.584 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 49.6 t -107.08 107.37 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 0.0 109.93 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -93.63 107.87 19.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.284 -175.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -97.97 91.74 5.46 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -94.1 123.59 37.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.691 HH21 HG23 ' A' ' 85' ' ' THR . 21.6 mtm180 -93.06 108.49 20.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.14 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.06 -39.65 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.805 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 38.1 mt-10 -108.07 115.1 29.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.494 176.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.691 HG23 HH21 ' A' ' 82' ' ' ARG . 5.6 m -122.72 5.97 9.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.19 0.519 . . . . 0.0 111.049 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.412 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 70.97 -119.94 8.37 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.012 -0.613 . . . . 0.0 113.101 176.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.412 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 15.9 Cg_exo -68.51 -22.85 38.0 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.087 2.525 . . . . 0.0 112.001 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.644 ' HB2' HG22 ' A' ' 85' ' ' THR . 57.0 m-85 -86.04 128.27 34.83 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.785 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 22.4 tm0? -67.13 -43.16 83.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.679 -172.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 75.9 t80 -148.92 149.34 31.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.401 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 52.7 ttm -152.86 110.79 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.901 0.382 . . . . 0.0 110.377 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 39.0 t-20 -107.15 115.31 29.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.63 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.498 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 16.4 mt -97.93 92.35 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.041 0.448 . . . . 0.0 109.843 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 85.0 t -90.72 110.33 22.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.04 -177.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.69 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.3 m0 -87.96 96.24 10.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -97.25 121.07 38.72 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.088 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -101.08 118.93 37.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.496 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.31 113.65 27.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.176 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -72.59 124.86 26.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.11 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.3 m -124.6 157.26 35.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.35 -23.97 65.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 111.506 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -110.69 15.12 22.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.599 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.77 -169.37 28.6 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.01 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.4 m -110.77 119.92 40.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.601 0.238 . . . . 0.0 110.424 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 67.9 t -92.19 103.46 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 55.2 ttp -90.42 120.87 31.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -104.42 108.97 20.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.829 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.493 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -79.29 83.66 5.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.05 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.559 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 85.5 m -81.26 91.22 6.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.371 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -90.14 100.98 13.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.347 0.594 . . . . 0.0 109.462 176.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -101.76 92.74 4.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.093 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.632 ' CE1' ' HA3' ' A' ' 3' ' ' GLY . 35.8 p90 -111.57 178.39 4.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.724 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -153.66 113.88 3.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.464 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.466 ' HE1' ' HB3' ' A' ' 118' ' ' ALA . 38.2 mtp -92.95 144.13 25.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.958 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.785 ' HD2' ' HG3' ' A' ' 89' ' ' GLN . 93.2 mttt -147.98 -50.91 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.082 -177.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.635 ' HD3' ' HB2' ' A' ' 115' ' ' LYS . 87.7 Cg_exo -50.84 168.72 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 121.779 1.653 . . . . 0.0 112.477 169.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -87.33 34.5 0.69 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.757 -170.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.466 ' HB3' ' HE1' ' A' ' 114' ' ' MET . . . -55.27 147.28 37.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.788 176.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.58 13.36 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.092 2.528 . . . . 0.0 113.883 -174.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.1 m -134.58 150.58 30.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 0.0 109.867 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.667 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 24.4 m-20 -99.18 169.02 9.68 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.385 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.05 -33.23 67.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.12 83.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.355 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.667 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 33.2 m95 -63.89 -35.41 80.57 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.749 0.309 . . . . 0.0 110.53 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 70.0 mtp -66.26 -49.03 68.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.804 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 50.4 m -53.56 -50.1 66.26 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.472 0.482 . . . . 0.0 112.075 -174.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -73.29 -36.55 66.31 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.689 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -66.72 -45.32 79.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.064 0.459 . . . . 0.0 110.007 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.09 -38.99 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.56 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 50.9 t-20 -47.88 -58.1 4.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.103 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -66.53 -47.15 73.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.257 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -60.98 -52.09 66.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.435 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.566 ' O ' ' HG2' ' A' ' 137' ' ' MET . 57.9 m -69.72 -37.13 76.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.79 -174.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 130' ' ' ASN . 88.7 mtt-85 -60.4 -35.0 74.73 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.408 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 26.9 m -66.47 -42.4 87.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.229 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -70.76 -34.52 71.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 133' ' ' SER . 30.4 mmt -61.05 -43.05 99.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.21 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.97 93.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.451 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.64 -51.24 70.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.458 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.19 -42.56 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.839 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.549 ' HG3' HG23 ' A' ' 11' ' ' ILE . 75.7 ttt180 -61.66 -51.5 68.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.952 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -21.52 62.48 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -177.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -86.78 -52.6 5.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.167 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.9 mt -63.67 -45.74 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.589 0.233 . . . . 0.0 111.436 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.8 -33.08 75.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.03 0.443 . . . . 0.0 110.129 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -70.11 -45.7 66.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.114 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.85 83.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.609 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -72.28 -19.88 61.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.4 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . 0.425 ' HA2' HD11 ' A' ' 160' ' ' LEU . . . -87.1 -23.47 40.94 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.076 177.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -88.76 -43.66 11.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.468 0.175 . . . . 0.0 110.643 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -88.48 127.39 35.52 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ARG . . . . . 0.669 ' HG2' HD23 ' A' ' 160' ' ' LEU . 21.8 mtt-85 -105.26 135.96 45.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.045 0.45 . . . . 0.0 111.142 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 11.0 p -76.08 -21.63 56.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.632 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -140.86 114.76 9.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.894 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 18.2 m -77.69 -24.78 49.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.54 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.56 -36.92 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.218 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.77 87.25 6.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.961 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.61 31.21 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.402 -177.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -80.86 -18.62 46.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.256 0.55 . . . . 0.0 109.753 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.669 HD23 ' HG2' ' A' ' 152' ' ' ARG . 33.2 tp -71.92 -21.06 61.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.438 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -144.86 100.06 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.75 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -84.52 107.63 16.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.114 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -78.47 117.52 19.75 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 174.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -76.35 70.34 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.421 -171.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -144.36 0.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.469 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -134.96 100.01 4.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.83 0.348 . . . . 0.0 111.633 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.258 173.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.834 0.35 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.52 105.03 9.43 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.6 116.26 4.62 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.383 -174.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -105.82 81.9 1.72 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -101.53 143.16 31.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -132.06 97.51 4.17 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -103.22 106.9 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.546 -173.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -98.5 122.24 41.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.509 HG21 ' HB3' ' A' ' 137' ' ' MET . 7.1 tp -120.94 126.49 75.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.207 0.527 . . . . 0.0 110.22 176.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.544 HG23 HG22 ' A' ' 105' ' ' VAL . 17.7 m -89.47 116.78 27.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.82 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.489 HG23 ' HG3' ' A' ' 141' ' ' ARG . 50.2 mt -111.83 125.85 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . . . -74.67 -13.94 60.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.994 0.426 . . . . 0.0 111.284 -172.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -60.28 141.38 90.99 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.219 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.0 Cg_endo -59.13 142.74 99.64 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.918 2.412 . . . . 0.0 112.029 177.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 81.1 mtp -54.65 -29.79 53.45 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.895 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -50.61 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.715 0.634 . . . . 0.0 111.298 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.639 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 24.2 tp -66.04 -27.46 68.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.376 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.53 ' HA ' HD11 ' A' ' 144' ' ' ILE . 83.8 t -59.99 -60.99 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -58.19 -39.97 80.31 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 109.833 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.639 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 18.0 m -58.07 -42.81 86.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.324 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' HG13 ' A' ' 144' ' ' ILE . 92.8 mtp -91.14 -33.47 15.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.1 p -69.72 -31.21 69.09 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.471 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 38.8 m-80 -86.56 -15.87 38.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.561 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -79.89 94.38 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.552 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 19.2 pt -75.23 -16.22 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.464 -172.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -81.81 -1.52 47.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.145 0.497 . . . . 0.0 110.382 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -109.6 -3.19 17.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.753 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 20.4 m0 -54.83 -49.83 89.5 Favored Pre-proline 0 CA--C 1.532 0.268 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.78 -23.46 41.76 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.985 1.79 . . . . 0.0 113.153 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.88 -37.29 30.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.348 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -92.33 -46.75 7.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.872 0.368 . . . . 0.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -101.83 102.79 13.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.735 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.7 m -90.91 90.52 7.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.715 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -169.27 -49.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.367 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -72.57 149.69 43.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.077 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.33 -75.15 0.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.429 ' OG ' ' HB ' ' A' ' 53' ' ' THR . 4.6 p -114.89 122.32 45.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.315 0.579 . . . . 0.0 111.577 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG11 ' HB ' ' A' ' 25' ' ' ILE . 66.7 t -98.81 104.51 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.302 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -102.89 127.89 49.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.3 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.509 HG22 HD11 ' A' ' 25' ' ' ILE . 21.9 t -91.44 106.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -79.72 -23.1 42.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.262 0.553 . . . . 0.0 110.085 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.31 172.65 27.84 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -152.03 153.12 33.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.118 0.459 . . . . 0.0 110.594 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -123.72 74.46 1.27 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.594 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.4 t0 57.2 -80.66 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.495 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.74 -29.9 25.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 0.0 110.726 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HG2' HG22 ' A' ' 70' ' ' VAL . 94.0 mttt -88.34 141.04 28.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.988 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.4 p -130.3 116.02 34.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.402 0.62 . . . . 0.0 109.846 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -97.0 97.88 9.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.16 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 50.6 p90 -115.59 151.22 35.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.105 0.478 . . . . 0.0 110.756 -178.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.551 ' HD3' ' HB3' ' A' ' 64' ' ' SER . 32.0 ttm180 -106.87 120.09 41.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.6 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.5 mt -83.82 94.67 8.25 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.429 ' HB ' ' OG ' ' A' ' 37' ' ' SER . 26.5 m -87.33 102.44 14.52 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.552 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 167.99 18.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.328 -176.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -72.62 147.97 89.84 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -43.99 129.73 7.83 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.16 2.573 . . . . 0.0 113.082 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.13 163.02 28.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.162 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.1 -31.68 61.41 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 123.132 0.27 . . . . 0.0 111.309 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.78 -34.53 78.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.411 0.624 . . . . 0.0 110.701 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.23 -13.29 12.49 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.741 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -80.58 164.97 22.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.444 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.57 125.65 68.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.222 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -89.82 111.73 22.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.205 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.551 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 18.0 m -129.4 110.61 12.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.395 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.566 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 48.0 p90 -125.95 140.77 52.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 111.518 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.6 t -85.76 133.16 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.042 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 16.2 m -126.16 128.48 47.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.14 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.01 120.0 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.374 -0.376 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.471 ' NH1' ' HA ' ' A' ' 23' ' ' ASN . 50.0 ttp180 -119.8 133.9 55.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.712 -177.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.456 HG22 ' HG2' ' A' ' 47' ' ' LYS . 41.7 t -119.25 126.24 75.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.25 114.25 26.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.132 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -115.6 110.26 44.87 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.23 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.8 -10.86 20.05 Favored 'Trans proline' 0 CA--C 1.527 0.145 0 C-N-CA 122.84 2.36 . . . . 0.0 113.452 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.2 t -76.56 -55.19 11.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.069 0.462 . . . . 0.0 110.058 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.0 p -82.07 -8.97 59.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.009 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 58.94 38.48 24.34 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.385 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.1 m -126.7 128.24 46.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.487 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.53 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 57.9 t -115.77 112.34 39.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.305 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -96.59 123.74 40.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.421 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.47 100.87 8.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.858 0.361 . . . . 0.0 110.283 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -95.58 124.83 39.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.245 0.545 . . . . 0.0 110.212 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -100.55 111.48 23.73 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.5 t -72.64 -51.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.035 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 36.6 mt-10 -92.09 120.97 33.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.276 177.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 2.9 m -141.17 2.99 1.74 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.022 0.439 . . . . 0.0 111.285 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.68 -116.29 4.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.874 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.68 -10.72 29.71 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.97 2.446 . . . . 0.0 112.666 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.555 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 62.7 m-85 -89.95 140.69 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.842 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -73.13 -44.31 60.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.185 0.517 . . . . 0.0 109.828 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -161.75 149.17 14.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.925 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 51.3 ttm -144.71 112.81 6.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.964 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -105.92 117.59 34.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.004 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.9 108.46 25.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.555 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 41.9 t -100.9 119.2 48.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.784 0.326 . . . . 0.0 111.263 -177.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 34.9 m0 -97.67 98.26 9.72 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -98.02 119.52 36.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.94 0.4 . . . . 0.0 110.174 177.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -95.12 116.98 29.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.88 114.04 27.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.033 0.444 . . . . 0.0 111.163 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.4 111.25 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.252 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.0 m -130.9 154.8 47.72 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.61 -16.21 58.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 110.527 -177.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -86.67 -6.79 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.281 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 12' ' ' ALA . . . 134.84 -169.44 23.23 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.103 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.7 m -84.98 107.58 17.18 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.942 0.401 . . . . 0.0 110.025 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.544 HG22 HG23 ' A' ' 10' ' ' THR . 69.3 t -88.71 103.05 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 35.6 ttp -94.33 122.04 36.47 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.188 0.518 . . . . 0.0 110.011 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -103.78 109.77 21.61 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.826 -175.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -88.38 90.41 8.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.979 0.419 . . . . 0.0 110.555 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.555 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 7.9 m -83.98 102.52 12.51 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.518 175.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -104.92 108.99 20.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.043 0.449 . . . . 0.0 110.254 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -110.2 108.09 18.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.459 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -135.33 162.74 31.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.897 0.38 . . . . 0.0 111.008 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -143.58 137.6 28.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.769 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 21.4 ptm -147.77 157.51 43.57 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.313 0.383 . . . . 0.0 110.246 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.507 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 53.7 mtpt -149.62 -49.9 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.507 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 71.4 Cg_exo -51.73 107.71 0.2 Allowed 'Trans proline' 0 C--N 1.365 1.432 0 C-N-CA 122.381 2.054 . . . . 0.0 113.561 -176.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.472 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 65.9 m-20 57.67 30.94 19.65 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.733 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.93 107.42 22.59 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.379 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 41.9 Cg_endo -92.52 17.05 1.29 Allowed 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 123.123 2.549 . . . . 0.0 111.81 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.501 HG21 ' SD ' ' A' ' 125' ' ' MET . 28.3 m -96.54 130.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.113 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -93.59 66.28 3.81 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.6 t70 61.68 -79.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.1 175.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.94 -13.41 62.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.947 -172.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -61.38 -45.53 93.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.277 0.56 . . . . 0.0 109.584 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 120' ' ' VAL . 80.5 mtp -79.58 -35.71 39.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.366 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.5 m -57.14 -41.33 78.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.5 -43.43 63.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 109.884 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -59.3 -41.48 89.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.769 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 125' ' ' MET . 61.5 mt -60.74 -46.72 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.713 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -53.54 -45.53 69.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -66.72 -60.21 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.9 -48.64 80.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.935 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 137' ' ' MET . 60.6 m -66.31 -38.61 88.1 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -59.82 -42.2 92.99 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.373 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.7 m -68.15 -41.9 80.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.966 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 140' ' ' ILE . 59.5 tp60 -68.14 -43.45 78.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.804 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 133' ' ' SER . 80.5 mmm -67.7 -33.82 75.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.339 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.99 93.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.31 -50.17 74.07 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.114 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.439 HD12 ' SD ' ' A' ' 137' ' ' MET . 68.3 mt -58.75 -47.44 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.44 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.489 ' HG3' HG23 ' A' ' 11' ' ' ILE . 49.1 ttt180 -57.05 -51.0 71.03 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.42 -29.66 64.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.986 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -82.26 -50.49 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.7 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.53 HD11 ' HA ' ' A' ' 18' ' ' VAL . 16.5 tt -71.69 -33.77 49.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 111.495 -175.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -73.03 -33.63 65.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 150' ' ' GLU . 39.1 tt0 -62.13 -48.72 78.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.191 171.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.63 73.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.244 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.16 94.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.704 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . 0.563 ' O ' ' HA ' ' A' ' 153' ' ' THR . . . -71.57 -20.78 78.67 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.167 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 146' ' ' GLN . 47.2 mt-10 -85.73 -32.52 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.038 0.447 . . . . 0.0 110.207 175.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 151' ' ' ARG . 0.5 OUTLIER -67.39 -55.66 12.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -118.41 89.97 3.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.242 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 149' ' ' GLY . 9.2 p -58.69 -40.42 83.56 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.23 0.538 . . . . 0.0 110.265 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -104.96 103.46 13.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 168.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 15.1 m -62.43 -21.03 65.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.138 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 19.0 t -102.53 145.53 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 174.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.88 -36.6 79.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.166 0.507 . . . . 0.0 109.895 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -135.69 -163.33 1.38 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.843 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.36 -22.15 52.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.144 0.497 . . . . 0.0 110.091 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 95.3 mt -136.89 159.08 42.93 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.501 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -80.59 -53.43 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.088 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -84.83 121.88 28.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.173 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -98.15 146.08 25.94 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -80.7 18.51 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.445 0.641 . . . . 0.0 110.897 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -98.47 -1.97 40.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 167.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -137.4 -165.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.425 -1.261 . . . . 0.0 108.197 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.337 175.484 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.812 0.339 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -147.88 105.64 3.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.922 0.391 . . . . 0.0 110.126 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.15 107.12 3.29 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.974 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -92.15 92.15 8.1 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -113.88 136.04 53.31 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -168.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.84 102.64 9.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.826 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.607 ' ND2' ' HB2' ' A' ' 133' ' ' SER . 14.1 t-20 -96.2 120.61 36.81 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 17.5 mt-10 -118.34 149.77 40.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.606 -168.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 138' ' ' ALA . 19.2 tt -154.14 135.45 5.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.788 169.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 27.2 m -86.2 122.15 29.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.585 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 mt -108.01 123.33 63.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.179 0.514 . . . . 0.0 110.596 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.14 64.68 8.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.38 0.609 . . . . 0.0 110.301 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.9 149.51 36.15 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.986 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.12 146.86 95.26 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.587 2.191 . . . . 0.0 111.814 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.7 mtp -62.12 -26.11 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.299 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' CD ' HH21 ' A' ' 151' ' ' ARG . 31.9 tt0 -55.49 -68.75 0.17 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.242 0.339 . . . . 0.0 110.471 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD23 ' HD3' ' A' ' 151' ' ' ARG . 2.4 tm? -51.55 -43.8 62.49 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.154 0.581 . . . . 0.0 111.282 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.54 -54.82 27.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 120.832 0.348 . . . . 0.0 111.426 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -61.35 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.527 0.68 . . . . 0.0 109.667 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -59.01 -42.38 89.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.614 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.632 ' HG2' HG12 ' A' ' 144' ' ' ILE . 8.2 tpt -63.91 -37.73 88.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.907 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.7 p -84.96 -17.48 37.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.839 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.445 ' ND2' HH22 ' A' ' 69' ' ' ARG . 10.9 m-80 -73.11 -43.54 61.56 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.896 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.929 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 76.5 m-20 -77.53 82.86 3.95 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 173.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.553 HD11 HG22 ' A' ' 40' ' ' VAL . 19.2 pt -64.75 -11.88 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.14 -175.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -82.66 4.31 25.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.726 0.298 . . . . 0.0 111.044 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.929 ' HE2' ' HB2' ' A' ' 24' ' ' ASP . 50.1 mttm -85.22 -21.6 29.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.202 0.525 . . . . 0.0 109.64 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.525 ' HB2' HG21 ' A' ' 38' ' ' VAL . 49.7 m0 -56.97 -44.58 99.84 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.783 -176.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 49.3 Cg_exo -57.95 -25.4 69.84 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.876 1.717 . . . . 0.0 112.568 175.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.71 -38.11 21.19 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.872 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.6 ' HG ' ' HG3' ' A' ' 143' ' ' ARG . 11.0 mp -79.9 -56.33 4.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.802 0.334 . . . . 0.0 110.785 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -76.23 168.87 19.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.732 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.1 m -115.54 -39.35 3.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.4 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.55 -31.39 68.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.595 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -76.69 122.4 24.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.84 -29.34 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.481 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -163.34 143.31 8.78 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.978 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.525 HG21 ' HB2' ' A' ' 28' ' ' TRP . 99.3 t -109.88 92.0 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.13 113.87 25.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.082 -169.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.553 HG22 HD11 ' A' ' 25' ' ' ILE . 34.4 t -71.72 119.6 18.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.251 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 51' ' ' ARG . 91.4 mt -90.1 -24.02 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.003 0.43 . . . . 0.0 110.524 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.96 169.48 31.51 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.014 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -140.96 150.25 42.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.917 0.389 . . . . 0.0 110.789 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 32.2 t70 -143.15 56.69 1.39 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.354 177.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t70 59.96 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.201 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -68.93 -29.63 67.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.085 0.469 . . . . 0.0 110.332 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 44' ' ' ASP . 52.8 mttm -103.48 137.93 40.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.268 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 69' ' ' ARG . 5.8 p -133.75 109.43 13.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.554 0.692 . . . . 0.0 109.355 167.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 m -91.83 122.87 34.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.404 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -129.5 149.4 51.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.28 0.562 . . . . 0.0 111.12 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HB2' HD11 ' A' ' 41' ' ' LEU . 41.6 ttt180 -101.33 118.77 37.65 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.827 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.524 ' O ' ' HA ' ' A' ' 64' ' ' SER . 22.7 mt -86.7 100.86 12.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.227 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 m -99.15 114.51 27.3 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.735 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.4 mtp -97.07 -177.51 3.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.164 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -77.28 147.22 75.76 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.16 138.64 86.99 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.6 2.2 . . . . 0.0 111.766 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -76.21 -175.21 3.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.58 -29.84 70.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.662 0.267 . . . . 0.0 111.711 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -78.35 -25.33 46.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.994 0.426 . . . . 0.0 110.454 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.98 -6.26 13.39 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.779 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -72.67 124.41 25.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.832 0.349 . . . . 0.0 110.771 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.1 t -87.77 103.96 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -71.77 128.29 35.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.429 0.633 . . . . 0.0 111.621 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 24.0 m -146.06 142.74 28.87 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.999 178.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.2 p90 -147.59 162.87 38.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.925 0.393 . . . . 0.0 110.949 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -98.75 127.91 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.696 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -132.46 154.63 49.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.395 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -120.1 124.96 47.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.202 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.594 ' HB3' HG13 ' A' ' 48' ' ' VAL . 51.2 ttt-85 -102.22 120.14 39.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.005 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.0 t -110.82 130.04 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.06 112.14 24.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.738 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -107.73 99.4 29.45 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.746 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.3 -19.38 19.75 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.147 2.565 . . . . 0.0 112.699 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.22 -44.98 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.221 0.534 . . . . 0.0 110.094 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m -89.09 -5.49 57.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.419 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 58.9 46.4 13.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.773 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.431 ' CG2' HG13 ' A' ' 94' ' ' VAL . 90.7 m -131.38 131.26 43.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.626 -173.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 76.2 t -102.62 102.42 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 169.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -92.13 112.26 24.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.545 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.29 103.43 12.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.43 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -101.21 141.5 33.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HD2' ' SD ' ' A' ' 91' ' ' MET . 12.2 ttt-85 -83.8 107.04 15.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.31 -44.51 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.266 0.555 . . . . 0.0 110.523 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -100.41 141.24 33.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 65.9 p -96.81 -168.88 1.78 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.969 0.414 . . . . 0.0 111.073 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -177.95 -113.22 0.35 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.71 -18.1 42.31 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.599 2.2 . . . . 0.0 110.829 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -105.31 147.22 28.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.807 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -88.26 -35.47 17.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.824 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.457 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 89.3 t80 -148.59 126.56 11.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.67 -175.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.539 ' SD ' ' HD2' ' A' ' 82' ' ' ARG . 79.3 mtp -133.48 105.77 7.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -122.21 101.97 7.85 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.535 HG12 ' HG3' ' A' ' 110' ' ' GLN . 15.0 mt -94.95 104.87 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.236 0.541 . . . . 0.0 109.964 -177.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.594 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 95.1 t -93.95 103.67 14.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.887 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.585 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 12.7 m0 -86.97 97.56 10.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.906 178.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.486 ' HG3' HG12 ' A' ' 94' ' ' VAL . 43.9 mt-10 -95.7 136.59 35.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.824 0.345 . . . . 0.0 110.763 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.541 ' HE2' HG23 ' A' ' 78' ' ' VAL . 63.8 m-85 -114.53 115.58 27.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.482 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.17 139.33 40.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.397 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.83 99.56 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.598 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 m -113.32 156.77 22.79 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.757 0.313 . . . . 0.0 110.2 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.85 6.81 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.987 0.422 . . . . 0.0 111.632 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -114.0 -2.52 13.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.939 176.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.6 -169.28 20.82 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.853 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 m -84.47 106.56 16.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 94.1 t -83.76 116.57 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.882 0.372 . . . . 0.0 110.341 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 51.5 ttp -97.05 122.19 39.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.704 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.444 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 17.8 mtm180 -115.1 117.69 31.26 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.084 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -86.81 88.49 7.69 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.594 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 76.6 m -81.52 88.06 6.2 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.332 176.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.535 ' HG3' HG12 ' A' ' 93' ' ' ILE . 53.1 tt0 -92.07 102.29 14.83 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.674 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -89.74 94.27 9.77 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.531 ' HD1' ' HG2' ' A' ' 110' ' ' GLN . 52.3 p90 -116.38 121.86 43.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.781 0.801 . . . . 0.0 111.443 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -97.97 125.25 42.82 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.858 174.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 86.7 mmm -83.93 148.63 26.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.515 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.45 ' HB3' ' OD2' ' A' ' 117' ' ' ASP . 3.5 mmmp? -74.78 131.95 78.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 50.3 Cg_exo -56.75 -5.01 1.02 Allowed 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 123.601 2.868 . . . . 0.0 113.159 177.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' A' ' 115' ' ' LYS . 8.2 m-20 -70.7 -28.43 64.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.118 175.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.486 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -95.57 139.9 22.13 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.132 -176.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 3.2 Cg_endo -87.01 21.7 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.604 2.869 . . . . 0.0 113.033 -177.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.0 m -92.3 121.91 43.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.256 0.551 . . . . 0.0 110.033 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -100.85 76.95 1.82 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.478 -169.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 60.35 -79.17 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 O-C-N 124.046 0.841 . . . . 0.0 112.017 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.46 ' HA ' ' HB ' ' A' ' 126' ' ' THR . . . -59.03 -23.97 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.374 -173.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -56.15 -58.47 7.78 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.374 0.607 . . . . 0.0 109.586 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.634 ' O ' HG12 ' A' ' 129' ' ' ILE . 96.4 mmm -69.52 -42.38 74.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.394 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.46 ' HB ' ' HA ' ' A' ' 123' ' ' ALA . 94.1 m -55.84 -42.97 76.56 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.08 -35.63 74.33 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.584 -0.446 . . . . 0.0 109.958 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -62.2 -37.24 84.54 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.288 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.634 HG12 ' O ' ' A' ' 125' ' ' MET . 46.3 mm -54.35 -53.82 26.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -52.12 -56.47 14.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.01 -62.1 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.937 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -63.2 -56.0 20.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.648 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.607 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 16.6 m -62.53 -49.57 74.79 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.648 -174.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -64.95 -33.44 76.03 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.386 -172.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.7 m -61.26 -47.82 84.29 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.359 0.6 . . . . 0.0 110.152 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.415 ' O ' HG13 ' A' ' 140' ' ' ILE . 98.0 mt-30 -69.06 -36.15 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.964 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.502 ' HG3' ' O ' ' A' ' 133' ' ' SER . 90.5 mtp -66.79 -33.22 75.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.401 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . . . -61.7 -41.76 98.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.9 tt -63.65 -40.48 96.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.064 175.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 136' ' ' GLN . 83.8 mt -66.63 -41.71 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.804 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 141' ' ' ARG . 6.3 tmm_? -58.95 -41.57 87.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.984 177.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.96 -47.48 84.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.569 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.6 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 18.9 mmt180 -62.41 -40.71 97.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.695 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.632 HG12 ' HG2' ' A' ' 21' ' ' MET . 37.6 mt -67.13 -41.66 87.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.544 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.11 -33.45 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 110.202 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -58.86 -54.46 46.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.065 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.429 ' HB3' HD11 ' A' ' 17' ' ' LEU . . . -66.37 -33.09 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.387 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.57 -34.13 69.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.991 0.424 . . . . 0.0 110.793 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -66.22 -24.63 72.07 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -82.91 -66.23 0.92 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.527 173.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.504 ' HD3' HD23 ' A' ' 17' ' ' LEU . 20.6 ttt180 -81.45 99.74 8.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.266 0.555 . . . . 0.0 110.4 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 152' ' ' ARG . 48.0 mtt180 -94.92 109.9 21.85 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.21 177.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 24.7 m -56.42 137.34 53.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.316 -176.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -61.56 150.1 37.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.148 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 24.0 p -72.93 88.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.28 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 48.8 t -83.34 108.93 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.084 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 91.4 mt -75.61 -65.61 0.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.703 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -109.97 159.9 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.054 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 162' ' ' HIS . 11.9 p-10 -69.37 -57.41 5.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 55.9 tp 46.56 -87.97 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.073 0.949 . . . . 0.0 112.943 175.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -69.95 -34.88 73.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.175 0.512 . . . . 0.0 110.239 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.469 ' O ' ' HB2' ' A' ' 159' ' ' ASP . 84.6 m-70 -89.78 99.73 12.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.142 -177.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -78.78 149.45 32.63 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -77.39 15.77 0.72 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.019 0.438 . . . . 0.0 112.05 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -137.47 -98.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 171.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -153.88 5.18 0.3 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 168.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 . . . . . 0 C--O 1.244 0.783 0 CA-C-N 114.529 -1.214 . . . . 0.0 108.32 -178.551 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -112.29 115.09 28.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.123 177.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.27 176.53 19.3 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.89 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.671 ' HB3' ' HA ' ' A' ' 111' ' ' ASP . 2.0 p-80 -151.28 133.8 15.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.045 0.45 . . . . 0.0 111.063 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.454 ' OG1' ' HA ' ' A' ' 126' ' ' THR . 7.2 m -106.03 119.59 39.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.376 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.19 98.52 10.52 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -101.7 96.75 7.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.603 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 0.7 OUTLIER -104.45 151.21 23.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.852 0.358 . . . . 0.0 111.226 -176.12 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.552 HG21 ' HB3' ' A' ' 137' ' ' MET . 13.5 tt -151.65 137.19 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.711 173.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.2 m -85.18 116.82 23.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.908 0.385 . . . . 0.0 110.768 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.542 HG22 ' H ' ' A' ' 13' ' ' ALA . 35.6 mt -105.26 130.51 56.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.4 59.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.006 0.431 . . . . 0.0 111.659 -173.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.542 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -71.48 141.64 85.67 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.545 ' HB2' HD13 ' A' ' 17' ' ' LEU . 46.6 Cg_exo -57.23 149.27 65.18 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.945 2.43 . . . . 0.0 112.399 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mtp -59.49 -41.81 90.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.535 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.527 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 1.6 pm0 -69.44 -30.95 68.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.033 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 14' ' ' PRO . 11.2 mp -73.65 -38.86 64.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.46 . . . . 0.0 109.798 176.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.456 ' HA ' HD11 ' A' ' 144' ' ' ILE . 70.7 t -63.69 -40.69 89.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.895 173.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.427 ' HD1' HD21 ' A' ' 23' ' ' ASN . 17.8 t-105 -64.44 -50.94 65.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.929 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.448 HG22 ' HA ' ' A' ' 17' ' ' LEU . 15.3 t -64.64 -31.25 72.39 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.708 0.29 . . . . 0.0 111.053 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.2 mmm -72.11 -37.22 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.663 0.268 . . . . 0.0 111.218 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -82.36 -15.77 51.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.588 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.427 HD21 ' HD1' ' A' ' 19' ' ' TRP . 97.8 m-20 -74.45 -34.39 63.17 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 110.55 176.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -87.56 84.23 7.15 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.603 HD11 HG22 ' A' ' 40' ' ' VAL . 32.5 pt -71.33 -8.98 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.587 -171.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -73.29 -6.65 47.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.764 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -97.94 -10.72 24.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.53 ' HB2' HG21 ' A' ' 38' ' ' VAL . 37.2 m0 -55.39 -46.82 99.64 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 47.5 Cg_exo -57.83 -19.78 40.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.281 1.988 . . . . 0.0 113.099 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.83 -18.83 57.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.303 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' HG ' ' CB ' ' A' ' 143' ' ' ARG . 10.1 mp -104.58 -53.8 2.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.085 0.469 . . . . 0.0 110.357 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 34' ' ' GLU . 6.0 t80 -93.47 99.4 11.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.6 m -68.51 -2.66 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -171.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 7.7 mm-40 -84.14 -19.82 33.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.987 0.422 . . . . 0.0 110.85 178.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -87.49 132.92 33.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.221 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.14 -49.48 6.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.9 p -148.43 115.84 6.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.877 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.53 HG21 ' HB2' ' A' ' 28' ' ' TRP . 91.3 t -90.22 104.53 15.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 173.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -108.55 129.45 55.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.203 -168.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.603 HG22 HD11 ' A' ' 25' ' ' ILE . 38.1 t -76.97 118.52 23.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.857 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.6 tp -84.49 -39.08 19.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.0 156.27 15.44 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.658 ' HB3' HG23 ' A' ' 48' ' ' VAL . 20.3 ptt180 -151.0 141.17 22.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.773 0.787 . . . . 0.0 112.12 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -117.46 58.07 0.8 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.941 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 61.82 -83.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.925 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.98 -31.14 58.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.323 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -108.97 108.67 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.713 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.658 HG23 ' HB3' ' A' ' 43' ' ' ARG . 4.2 p -125.92 122.3 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 111.699 -175.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 m -95.37 116.64 29.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.517 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -121.88 143.33 49.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.607 0.718 . . . . 0.0 111.803 -174.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -97.49 113.42 25.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.745 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 64' ' ' SER . 55.2 mt -90.98 99.0 12.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.513 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.0 m -91.78 109.0 20.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.513 174.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.8 mmm -81.65 172.92 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.427 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -67.24 133.64 93.37 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 175.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.48 119.23 4.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.998 2.466 . . . . 0.0 111.885 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -75.45 168.09 20.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.142 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.8 -20.1 65.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.963 0.411 . . . . 0.0 111.027 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.29 -23.97 64.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.524 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.84 -26.31 24.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.946 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -70.73 125.38 26.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.993 0.425 . . . . 0.0 110.22 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.77 113.16 19.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.635 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -78.58 109.35 12.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.115 0.484 . . . . 0.0 110.51 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 22.8 t -135.53 123.18 22.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.545 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -131.28 155.25 47.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.114 0.483 . . . . 0.0 111.177 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -94.33 127.48 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.775 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.401 ' HA ' ' H ' ' A' ' 83' ' ' VAL . 19.8 m -133.19 162.16 32.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -131.05 132.51 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.165 0.507 . . . . 0.0 110.999 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -108.85 112.7 25.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.364 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.47 116.46 38.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.34 130.16 56.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.818 0.342 . . . . 0.0 111.702 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -103.12 101.56 22.64 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.49 -34.22 76.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.746 2.298 . . . . 0.0 112.315 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.1 t -75.39 -51.65 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.85 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 m -73.23 -19.88 60.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.053 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 61.74 48.7 5.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.634 0.73 . . . . 0.0 109.928 -177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -137.75 139.33 40.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.886 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 45.8 t -123.42 136.12 61.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.906 0.384 . . . . 0.0 110.969 -178.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -117.14 107.17 14.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.52 94.35 5.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.18 0.514 . . . . 0.0 110.153 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -100.19 137.21 38.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.445 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -84.85 112.54 20.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.825 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.401 ' H ' ' HA ' ' A' ' 67' ' ' SER . 25.7 t -56.81 -42.18 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.937 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -107.19 115.29 29.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.487 174.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.481 HG22 ' HB2' ' A' ' 91' ' ' MET . 10.3 p -83.85 -41.1 17.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.928 -175.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.417 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 84.76 -118.39 4.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.074 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.417 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 6.7 Cg_exo -74.25 -7.82 20.17 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.166 2.578 . . . . 0.0 112.396 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -93.44 162.99 13.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -95.84 -36.56 11.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -146.34 139.1 25.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.964 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.481 ' HB2' HG22 ' A' ' 85' ' ' THR . 70.7 mmm -140.23 104.1 4.74 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.694 0.283 . . . . 0.0 111.061 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -133.12 109.74 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.239 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 110' ' ' GLN . 16.4 mt -101.44 104.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.927 0.394 . . . . 0.0 110.18 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.1 t -89.72 115.05 28.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.673 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.585 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 25.4 m0 -95.63 94.13 7.55 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.551 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 46.1 mt-10 -88.77 116.11 26.8 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.956 0.407 . . . . 0.0 110.095 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -93.55 118.9 31.94 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.541 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.61 117.61 34.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.127 0.489 . . . . 0.0 111.03 -173.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.66 97.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.46 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.0 m -115.81 153.78 30.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.863 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.94 -21.6 64.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.81 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -91.79 -6.02 52.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.01 -169.13 24.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.32 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -89.4 107.97 19.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.658 0.266 . . . . 0.0 110.565 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 86.0 t -82.84 107.61 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 53.4 ttp -90.51 117.0 28.86 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.927 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.603 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 37.0 mtp85 -107.49 110.96 23.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.031 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -97.78 92.14 5.71 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.0 m -95.7 100.51 12.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.138 0.494 . . . . 0.0 110.187 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.569 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 51.7 tt0 -89.98 106.1 18.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.331 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.671 ' HA ' ' HB3' ' A' ' 4' ' ' HIS . 20.2 t70 -93.12 114.31 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.643 ' HE2' ' HA ' ' A' ' 122' ' ' ASP . 37.8 p90 -133.5 135.42 44.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.267 0.556 . . . . 0.0 111.065 -174.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -105.43 125.52 51.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.91 176.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 62.0 mtp -127.65 171.79 11.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.109 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.653 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 51.4 tttm 176.77 -45.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.734 -176.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 1.7 Cg_endo -43.88 171.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.365 1.438 0 C-N-CA 123.327 2.685 . . . . 0.0 114.049 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -70.93 17.6 0.07 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.367 -1.288 . . . . 0.0 113.181 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -65.37 128.16 93.55 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 26.9 Cg_exo -63.02 -16.5 54.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.055 2.504 . . . . 0.0 113.279 -175.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.623 HG12 ' HD1' ' A' ' 124' ' ' TRP . 16.1 m -91.69 126.28 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.222 0.534 . . . . 0.0 110.472 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.35 168.24 12.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.643 ' HA ' ' HE2' ' A' ' 112' ' ' PHE . 4.9 p-10 -59.02 -34.86 72.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.932 0.396 . . . . 0.0 110.088 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.41 80.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.623 ' HD1' HG12 ' A' ' 120' ' ' VAL . 19.8 t-105 -69.78 -39.57 76.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.749 0.309 . . . . 0.0 110.502 -176.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.519 ' O ' HG13 ' A' ' 129' ' ' ILE . 35.2 mtp -69.05 -27.33 65.55 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.82 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.454 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 84.5 m -60.72 -44.66 96.34 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.33 -39.52 94.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.73 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -61.58 -44.79 96.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.721 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 125' ' ' MET . 79.7 mt -62.94 -40.46 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.632 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -52.75 -62.01 1.92 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -58.56 -67.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.316 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -66.07 -52.57 47.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.007 -170.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.68 ' O ' ' HG2' ' A' ' 137' ' ' MET . 24.2 m -62.93 -40.62 98.18 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.605 -174.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -68.12 -32.87 73.47 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.548 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 62.1 m -65.75 -40.59 92.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.476 ' O ' HG13 ' A' ' 140' ' ' ILE . 83.4 mm-40 -63.87 -37.6 87.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.499 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.68 ' HG2' ' O ' ' A' ' 133' ' ' SER . 18.7 mmt -61.26 -39.21 89.51 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.754 178.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.95 81.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.061 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.1 tp -71.64 -46.64 58.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.785 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 144' ' ' ILE . 75.2 mt -61.63 -49.56 83.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.64 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.405 ' HA ' HG22 ' A' ' 144' ' ' ILE . 79.6 ttt180 -57.54 -45.11 85.46 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -53.12 -38.25 62.49 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.589 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.499 ' CB ' ' HG ' ' A' ' 31' ' ' LEU . 6.7 mmp_? -86.32 -51.03 6.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.802 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 140' ' ' ILE . 15.8 tt -69.43 -37.09 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -171.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -73.23 -29.46 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.159 0.504 . . . . 0.0 109.898 -177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -70.44 -50.84 34.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.996 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.71 97.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.578 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -82.68 -6.95 59.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.927 0.394 . . . . 0.0 111.267 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -91.43 -46.89 3.65 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 173.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.38 -51.89 21.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.533 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 66.58 118.82 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ARG . . . . . 0.491 ' HA ' HD22 ' A' ' 157' ' ' LEU . 52.2 mtt180 -82.4 -2.02 51.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 174.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.2 m -78.69 -8.9 59.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.252 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -102.05 162.29 13.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.845 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 23.4 p -72.3 -56.46 5.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 46.4 t -97.19 107.23 19.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 152' ' ' ARG . 33.6 mt -50.08 -75.06 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.911 0.757 . . . . 0.0 111.05 -173.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -100.04 133.3 44.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.691 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.32 -13.05 61.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.031 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.92 108.27 3.93 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.47 129.39 40.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.287 0.565 . . . . 0.0 111.946 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -93.43 135.05 35.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -79.61 -10.29 59.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.933 0.397 . . . . 0.0 111.543 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.93 145.62 30.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.07 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -115.72 130.57 56.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.618 -171.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -95.33 -163.74 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 77.9 t60 . . . . . 0 C--O 1.246 0.912 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 169.856 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.507 ' O ' ' HA ' ' A' ' 113' ' ' ALA . 74.1 mtm . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.17 122.69 41.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.975 0.416 . . . . 0.0 111.035 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.54 152.37 16.92 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -121.91 111.29 16.9 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -105.58 111.55 24.29 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -94.67 87.73 5.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.4 . . . . 0.0 110.899 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.438 HD21 HG22 ' A' ' 129' ' ' ILE . 85.9 m-20 -82.93 93.38 7.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.066 177.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.418 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 40.7 mt-10 -104.87 131.7 52.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.426 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.497 HD11 ' HD2' ' A' ' 141' ' ' ARG . 17.2 tt -140.22 132.89 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 0.0 110.523 176.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 m -85.78 107.63 17.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.563 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 13' ' ' ALA . 53.0 mt -90.0 133.95 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.53 17.75 1.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.839 0.352 . . . . 0.0 111.895 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.42 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -107.52 149.86 39.37 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HB2' HD13 ' A' ' 17' ' ' LEU . 39.4 Cg_exo -57.27 140.53 93.19 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.846 2.364 . . . . 0.0 112.372 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 73.9 mtp -53.96 -39.0 65.56 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.519 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -59.97 -42.85 95.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.361 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.617 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.4 mp -75.91 -36.03 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 -178.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.73 -47.74 88.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.281 173.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.483 ' O ' ' HB3' ' A' ' 23' ' ' ASN . 11.2 t-105 -63.94 -54.13 39.44 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.617 HG22 ' HA ' ' A' ' 17' ' ' LEU . 11.0 t -59.23 -33.76 71.39 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -174.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.8 mmm -76.52 -43.24 40.17 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.461 0.172 . . . . 0.0 111.44 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.2 p -77.97 -18.12 56.37 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.338 0.59 . . . . 0.0 110.678 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.512 ' HA ' HH22 ' A' ' 69' ' ' ARG . 0.0 OUTLIER -72.8 -33.8 66.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.525 174.717 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -81.76 93.61 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.257 0.551 . . . . 0.0 109.724 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.631 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 15.8 pt -70.43 -15.39 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.789 -174.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -77.43 -0.95 27.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.984 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -119.21 5.45 11.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.377 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.631 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 43.4 m0 -61.62 -46.81 93.75 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.994 176.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 31.3 Cg_exo -61.12 -14.24 32.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.302 2.001 . . . . 0.0 112.512 177.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.91 -32.25 53.75 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.752 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mp -98.32 -46.28 5.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.402 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -98.21 106.93 19.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.573 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m -79.25 8.91 5.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -86.73 -6.9 58.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.675 0.274 . . . . 0.0 111.205 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -124.19 147.38 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.964 0.411 . . . . 0.0 110.741 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.442 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . . . -92.09 -42.44 9.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.582 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.7 t -152.06 153.93 34.94 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.546 -177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG11 ' HB ' ' A' ' 25' ' ' ILE . 69.3 t -115.91 116.62 52.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.754 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 33.5 tt0 -93.67 108.38 20.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.425 -173.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 25' ' ' ILE . 22.1 t -78.49 100.25 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.919 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.429 HD12 HG22 ' A' ' 49' ' ' THR . 92.7 mt -70.63 -42.15 71.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.131 0.491 . . . . 0.0 110.076 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.69 168.37 19.28 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.191 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 79.0 mtt180 -94.65 122.13 36.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.895 0.379 . . . . 0.0 110.087 177.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -93.62 84.6 4.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.6 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 68.03 -79.08 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.603 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -121.57 -6.17 9.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.672 0.749 . . . . 0.0 109.654 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.689 ' HG2' HG22 ' A' ' 70' ' ' VAL . 27.2 mttp -99.62 173.02 6.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.544 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 5.2 p -138.15 122.95 22.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.084 0.469 . . . . 0.0 110.05 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.519 HG23 ' HG2' ' A' ' 68' ' ' GLU . 16.6 m -93.65 116.06 28.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.296 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 67' ' ' SER . 13.3 p90 -119.07 133.59 55.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.754 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 45.7 ttt180 -110.43 99.33 8.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.937 -176.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 65' ' ' TRP . 5.4 mp -73.86 119.04 17.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.933 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 m -100.38 116.86 33.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.626 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 63.0 mtt -86.47 -179.91 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.655 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.442 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 47.3 m80 -80.66 137.47 51.12 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.526 ' HB3' HG22 ' A' ' 62' ' ' VAL . 9.7 Cg_endo -53.15 109.44 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.042 2.495 . . . . 0.0 111.746 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.06 157.91 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.559 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.45 -19.34 63.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.804 0.335 . . . . 0.0 110.944 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.68 -9.98 59.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.461 0.648 . . . . 0.0 110.37 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.55 29.39 24.42 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.652 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -120.43 118.89 31.47 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.743 0.306 . . . . 0.0 110.377 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.526 HG22 ' HB3' ' A' ' 56' ' ' PRO . 43.9 t -84.87 105.59 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -75.96 128.05 34.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.304 0.573 . . . . 0.0 111.163 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 p -126.86 131.95 51.06 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.494 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.515 ' HB3' ' HB2' ' A' ' 52' ' ' LEU . 9.4 t90 -111.41 119.43 38.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.505 HG22 ' HG3' ' A' ' 51' ' ' ARG . 48.8 t -104.22 110.53 30.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.136 0.493 . . . . 0.0 110.062 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.475 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 23.1 t -127.06 148.87 50.12 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.519 ' HG2' HG23 ' A' ' 49' ' ' THR . 40.5 mt-10 -121.93 126.79 49.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 79' ' ' ARG . 30.5 ptt180 -124.33 142.84 50.95 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.335 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.689 HG22 ' HG2' ' A' ' 47' ' ' LYS . 32.9 t -105.5 114.29 44.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.513 175.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.457 ' HA ' HG22 ' A' ' 78' ' ' VAL . . . -99.82 101.7 12.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.742 0.306 . . . . 0.0 110.56 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 24.5 t70 -99.57 112.16 62.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.267 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 7.7 Cg_exo -73.28 -19.34 22.49 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 123.114 2.543 . . . . 0.0 112.664 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.0 t -70.48 -53.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.076 0.465 . . . . 0.0 110.804 -176.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.7 p -92.35 -7.6 47.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.588 ' HB3' ' HB2' ' A' ' 97' ' ' TYR . 47.5 mtm-85 56.03 49.97 14.67 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.918 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.0 m -130.99 123.07 27.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.114 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 48.7 t -108.78 123.71 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.239 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.615 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 79.7 mtt-85 -105.09 106.47 16.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.47 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.14 105.45 15.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -90.85 130.3 36.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.318 0.58 . . . . 0.0 110.409 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.498 ' HD3' ' SD ' ' A' ' 91' ' ' MET . 34.4 ttt180 -95.7 123.73 39.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.2 t -80.27 -57.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.646 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -58.83 121.87 12.18 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.739 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.606 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 18.9 p -83.51 -85.66 0.12 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.644 -177.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.46 -121.39 6.08 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.64 -20.78 19.92 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.444 2.096 . . . . 0.0 111.493 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.606 ' O ' ' HB ' ' A' ' 85' ' ' THR . 88.5 m-85 -98.12 155.66 17.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.155 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -100.32 -27.56 13.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.405 0.621 . . . . 0.0 109.86 175.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.748 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 54.6 t80 -151.78 135.65 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.142 -173.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.498 ' SD ' ' HD3' ' A' ' 82' ' ' ARG . 67.6 mtp -148.28 109.29 4.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 111.438 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -118.37 116.54 26.95 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.3 mt -102.43 113.36 38.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.036 0.446 . . . . 0.0 110.406 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.49 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 54.8 t -100.27 111.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.737 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.563 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 48.7 m0 -96.87 106.77 19.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.168 177.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 77.1 mt-10 -102.85 129.88 49.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.904 0.383 . . . . 0.0 110.31 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.588 ' HB2' ' HB3' ' A' ' 76' ' ' ARG . 15.4 m-85 -102.44 111.62 23.99 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.74 135.13 47.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.173 0.511 . . . . 0.0 111.297 -173.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.59 126.64 31.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.967 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 m -147.27 156.74 43.2 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.07 -23.5 55.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.05 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -79.75 -25.94 40.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.187 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.01 -169.28 33.61 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.736 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.1 m -85.69 113.19 21.7 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.669 0.271 . . . . 0.0 110.479 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.494 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -89.74 105.36 16.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 37.6 ttp -98.13 123.79 42.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.0 110.126 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.57 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 36.6 ttm-85 -102.72 117.45 34.68 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.354 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -102.76 90.69 3.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.49 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 22.0 m -88.62 106.26 18.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.19 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.52 104.16 16.31 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.334 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -85.9 96.2 9.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 39.7 p90 -117.93 138.76 51.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.897 0.379 . . . . 0.0 110.64 -176.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.748 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -124.38 136.09 53.81 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.95 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.8 mtp -97.38 -167.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.475 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 59.5 tttp -170.04 -55.82 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.475 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 30.8 Cg_endo -64.21 -13.12 36.09 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 122.025 1.817 . . . . 0.0 113.875 -175.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 69.94 78.75 0.19 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.609 0.719 . . . . 0.0 110.699 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.89 159.35 60.49 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.836 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.85 -33.59 61.86 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.669 2.246 . . . . 0.0 111.679 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.3 m -82.44 116.77 27.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.793 173.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -75.24 167.94 20.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.538 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.54 -40.9 69.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.542 0.687 . . . . 0.0 109.277 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.52 81.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.32 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -70.47 -36.99 74.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 28.7 mtp -66.92 -35.51 80.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.052 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 84.8 m -57.05 -47.92 79.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.608 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.24 -44.15 84.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.994 0.426 . . . . 0.0 110.683 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -57.53 -46.87 83.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.632 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.438 HG22 HD21 ' A' ' 7' ' ' ASN . 86.0 mt -61.96 -48.04 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.598 177.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.52 -47.39 82.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.203 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -63.55 -51.77 63.97 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.981 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.72 -44.38 93.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.771 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' ' 137' ' ' MET . 23.0 t -66.02 -42.42 89.68 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.645 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -55.47 -38.48 69.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.435 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.3 m -66.82 -50.27 63.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.861 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.05 -40.91 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.741 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 133' ' ' SER . 96.4 mmm -64.88 -31.09 72.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.627 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.7 93.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 109.993 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.73 -47.57 83.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.29 175.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.68 -46.3 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.546 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.497 ' HD2' HD11 ' A' ' 9' ' ' ILE . 49.7 ttt-85 -53.97 -51.53 63.58 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.444 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 33.7 t70 -58.14 -50.03 74.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.248 -177.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -70.66 -27.96 64.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.579 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 14.3 mm -65.54 -42.97 94.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 141' ' ' ARG . 45.9 mt-10 -62.06 -40.9 97.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 176.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 96.2 mt-30 -64.6 -50.98 65.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.34 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.68 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.311 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.536 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -71.62 -28.06 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.728 0.299 . . . . 0.0 110.775 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -75.33 -42.19 28.76 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.629 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -68.72 -39.43 80.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 65.72 -80.23 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.464 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -175.22 28.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 3.5 m -85.59 103.78 14.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.584 -177.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -78.67 76.34 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.281 0.562 . . . . 0.0 110.488 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 56.9 m -156.75 -28.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.266 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.65 139.43 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.287 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 96.8 mt -135.82 158.07 45.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.641 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.8 -43.75 71.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.758 0.313 . . . . 0.0 110.506 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -100.33 125.83 46.61 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 92.7 mt -112.99 136.85 52.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.243 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 163' ' ' HIS . 31.9 tt0 -83.24 119.3 24.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -60.93 -44.61 96.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.21 -173.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 161' ' ' GLU . 10.2 m170 -98.93 107.07 19.41 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 172.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -56.9 -33.77 67.25 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.245 0.545 . . . . 0.0 110.351 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -101.48 106.34 17.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 164.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -44.56 -47.86 10.26 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.878 0.736 . . . . 0.0 112.089 -170.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 54.4 t60 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.656 -0.688 . . . . 0.0 109.858 175.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.846 0.355 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.14 137.59 15.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.195 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 112' ' ' PHE . . . -109.89 105.15 1.96 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.833 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -94.52 91.72 6.75 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.568 HG23 HG23 ' A' ' 126' ' ' THR . 6.2 m -106.1 112.61 25.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -173.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -96.6 103.72 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.795 0.331 . . . . 0.0 110.345 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 32.7 m-80 -97.09 98.64 10.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -178.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -100.9 143.05 31.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.995 0.426 . . . . 0.0 111.219 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 137' ' ' MET . 12.5 tt -159.96 132.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.373 175.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.0 m -86.5 101.97 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.289 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.491 HD13 HD12 ' A' ' 144' ' ' ILE . 66.8 mt -79.32 132.55 31.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.76 52.9 1.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.981 0.42 . . . . 0.0 112.009 -173.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.49 148.25 36.43 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.875 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.32 144.33 99.5 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.832 2.355 . . . . 0.0 112.082 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.493 ' HG2' HG23 ' A' ' 104' ' ' THR . 83.2 mtp -54.84 -39.16 68.29 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.615 -175.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -57.79 -45.21 86.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.324 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 148' ' ' ALA . 9.6 mp -78.1 -34.47 50.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.548 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.39 -43.93 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.346 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -65.26 -49.86 67.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.699 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 17' ' ' LEU . 12.4 t -64.43 -22.3 66.92 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.027 0.442 . . . . 0.0 111.149 -177.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.6 mmm -84.39 -43.3 14.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.947 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.639 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 32.8 p -90.17 -21.95 21.95 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -172.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.582 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 63.6 t30 -79.25 -30.16 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.339 . . . . 0.0 110.525 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -74.32 106.32 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.586 HD11 HG22 ' A' ' 40' ' ' VAL . 24.9 pt -66.26 -18.61 24.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.919 -173.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -85.86 -1.17 57.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.832 0.349 . . . . 0.0 111.179 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -95.26 -13.81 24.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.398 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.502 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 48.3 m0 -57.38 -48.1 97.89 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.486 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 31.4 Cg_exo -60.04 -22.8 70.9 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.106 1.87 . . . . 0.0 112.74 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.53 -20.89 67.92 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.015 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.742 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 10.1 mp -103.34 -58.64 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.142 0.496 . . . . 0.0 110.198 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -91.31 104.49 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.682 -178.685 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -80.09 18.29 0.87 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.155 -173.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -95.65 -20.74 18.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.165 0.507 . . . . 0.0 110.577 176.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.475 ' CD1' HD21 ' A' ' 52' ' ' LEU . 10.0 m-30 -88.07 135.3 33.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -178.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.84 -59.72 2.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.238 0.542 . . . . 0.0 109.725 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 p -147.3 122.88 10.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.513 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG11 ' HB ' ' A' ' 25' ' ' ILE . 78.2 t -87.39 107.12 16.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 174.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 34.3 tt0 -96.8 119.34 35.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.513 -170.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 25' ' ' ILE . 21.5 t -70.2 104.82 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.868 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 tp -78.3 -34.1 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.012 0.434 . . . . 0.0 110.055 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.23 156.32 8.81 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.158 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.498 ' HG2' HG23 ' A' ' 48' ' ' VAL . 49.6 mtt180 -109.7 156.05 20.75 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.91 158.6 44.01 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.83 -28.68 61.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.831 0.348 . . . . 0.0 111.321 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -106.61 -18.71 13.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.863 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.846 ' HG2' HG22 ' A' ' 70' ' ' VAL . 60.7 mttp -144.28 168.17 20.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.396 0.617 . . . . 0.0 112.225 -169.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.498 HG23 ' HG2' ' A' ' 43' ' ' ARG . 5.6 p -134.91 116.78 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 169.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 m -97.9 120.64 38.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.055 -173.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 67' ' ' SER . 53.6 p90 -115.5 140.72 48.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.372 0.606 . . . . 0.0 110.7 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 36.8 ttt180 -103.39 98.03 7.99 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 174.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 35' ' ' TYR . 5.1 tt -81.78 108.07 15.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.755 -173.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 94.5 m -86.42 102.59 14.19 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.384 175.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.512 ' HB3' ' HB2' ' A' ' 63' ' ' TRP . 10.2 tpt -75.17 137.71 41.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 175.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -58.26 140.32 83.54 Favored Pre-proline 0 C--N 1.331 -0.206 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.989 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.597 ' HB3' HG22 ' A' ' 62' ' ' VAL . 19.5 Cg_endo -58.25 139.44 90.53 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 123.237 2.624 . . . . 0.0 112.955 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.566 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 24.6 t70 -69.59 162.81 26.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.558 174.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.46 -19.88 62.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.771 0.319 . . . . 0.0 111.211 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.52 -30.76 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.19 0.519 . . . . 0.0 110.342 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.65 35.06 3.14 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.397 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 47.2 mmtm -114.24 117.12 30.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.722 -0.281 . . . . 0.0 110.652 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.597 HG22 ' HB3' ' A' ' 56' ' ' PRO . 38.5 t -90.95 130.42 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 57' ' ' ASP . 4.8 m0 -112.07 87.07 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.784 -174.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 35.0 m -97.21 110.49 23.03 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.893 175.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.434 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 3.2 p90 -116.44 142.21 47.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.199 0.523 . . . . 0.0 111.26 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.5 t -88.75 129.37 39.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.805 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 15.2 m -135.03 146.27 48.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.001 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -106.53 119.78 40.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.056 0.455 . . . . 0.0 110.772 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.582 ' NH2' ' HA ' ' A' ' 23' ' ' ASN . 25.7 ttt85 -107.4 117.85 35.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.887 -176.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.846 HG22 ' HG2' ' A' ' 47' ' ' LYS . 27.0 t -101.31 97.66 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.3 112.88 26.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 29.8 t70 -122.31 118.08 29.03 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.874 0.369 . . . . 0.0 110.574 176.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 8.9 Cg_exo -72.26 -24.78 19.41 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.321 2.681 . . . . 0.0 112.881 -177.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.6 -52.26 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.942 0.401 . . . . 0.0 110.448 -177.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 p -76.69 -17.56 59.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.687 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.509 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 95.0 mtt180 65.94 38.63 4.88 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.64 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.4 m -141.17 131.86 25.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.844 -178.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.602 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 50.3 t -115.43 115.81 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.6 mtt85 -101.52 104.15 15.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . . . -108.2 104.7 14.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.847 0.356 . . . . 0.0 110.371 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -100.98 134.95 43.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.279 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 ttp85 -102.58 115.14 29.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.99 0.424 . . . . 0.0 110.044 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.6 t -79.16 -36.64 18.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.724 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 22.5 mt-10 -95.82 97.43 9.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.755 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.6 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 5.1 p -95.15 -34.76 12.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.689 -171.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.464 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 78.5 -111.42 3.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.015 -177.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.464 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 16.7 Cg_exo -69.1 -21.84 35.97 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.741 2.294 . . . . 0.0 112.237 177.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.6 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 26.6 m-85 -82.98 155.03 24.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -87.03 -41.44 13.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.784 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -159.31 154.48 25.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.398 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 45.9 ttm -156.8 124.35 5.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.97 0.414 . . . . 0.0 111.115 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -134.92 133.19 39.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.425 HG23 ' HG2' ' A' ' 110' ' ' GLN . 17.8 mt -116.83 118.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 110.814 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.554 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 60.4 t -103.87 111.36 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.639 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.8 m0 -90.41 104.65 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.4 tt0 -98.87 124.83 44.04 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -105.21 118.66 37.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.438 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.64 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.06 150.93 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.509 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 29.5 tt0 -97.63 127.78 43.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.105 0.479 . . . . 0.0 112.132 -168.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.75 150.7 43.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.131 170.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.43 -21.8 55.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.083 0.468 . . . . 0.0 110.755 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -95.49 3.2 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.161 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.66 -169.16 33.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.699 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.493 HG23 ' HG2' ' A' ' 15' ' ' MET . 29.3 m -115.78 122.41 45.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.644 0.259 . . . . 0.0 110.333 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.64 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 56.4 t -89.4 93.94 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 41.5 ttp -101.6 129.98 47.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.226 0.536 . . . . 0.0 110.801 -174.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.54 ' HB2' ' HB3' ' A' ' 96' ' ' GLU . 97.6 mtt180 -108.07 112.85 25.61 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.005 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 16.3 m0 -87.42 84.97 7.1 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 173.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.554 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 11.9 m -78.25 94.81 4.85 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.821 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.425 ' HG2' HG23 ' A' ' 93' ' ' ILE . 96.2 mt-30 -94.44 107.47 19.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.031 -177.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -104.79 103.74 13.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.555 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CZ ' ' HA3' ' A' ' 3' ' ' GLY . 53.2 p90 -119.38 154.86 32.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.478 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -124.4 124.58 42.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.003 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.4 mtp -130.46 156.39 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.147 177.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 28.1 ttpp 177.44 -47.79 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.541 -173.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 43.0 Cg_endo -69.31 116.88 4.73 Favored 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 121.94 1.76 . . . . 0.0 113.137 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.9 t70 76.39 -27.0 0.18 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.706 0.802 . . . . 0.0 112.563 168.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.5 129.37 51.38 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.83 -173.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -89.94 25.3 0.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.221 2.614 . . . . 0.0 112.224 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.8 m -83.89 125.63 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.917 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -84.83 31.57 0.54 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.713 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 67.69 -69.35 0.14 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.559 0.744 . . . . 0.0 110.934 -178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.61 -25.24 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.372 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 -59.94 -44.29 94.46 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.225 0.536 . . . . 0.0 109.989 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.419 ' O ' HG13 ' A' ' 129' ' ' ILE . 85.7 mtp -72.87 -40.44 65.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.224 178.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.568 HG23 HG23 ' A' ' 5' ' ' THR . 84.8 m -53.83 -42.74 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.446 0.467 . . . . 0.0 111.384 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.16 -44.45 72.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.678 0.275 . . . . 0.0 111.033 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.16 -40.68 96.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.274 177.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 125' ' ' MET . 64.5 mt -60.98 -46.65 96.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.863 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -51.41 -48.34 62.66 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.021 0.438 . . . . 0.0 111.002 177.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -69.13 -46.05 68.61 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.074 0.464 . . . . 0.0 110.921 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -67.5 -44.14 79.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.191 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 99.8 p -67.78 -44.33 77.67 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.573 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -54.56 -43.65 72.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.2 0.524 . . . . 0.0 110.099 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.5 m -69.54 -47.06 64.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.209 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 32' ' ' PHE . 8.8 tp-100 -70.83 -42.42 70.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.715 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.482 ' HB3' HG21 ' A' ' 9' ' ' ILE . 95.2 mmm -66.58 -28.56 68.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.23 99.72 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 171.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 59.7 tp -63.81 -47.89 79.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.386 176.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.536 HG23 HD23 ' A' ' 31' ' ' LEU . 73.7 mt -60.34 -41.58 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 177.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -57.26 -48.2 79.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.537 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.4 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.566 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.742 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 15.2 tpt180 -65.9 -44.98 83.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.238 -177.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.491 HD12 HD13 ' A' ' 11' ' ' ILE . 51.0 mt -65.81 -41.53 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.445 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.85 -38.08 81.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.046 0.45 . . . . 0.0 110.076 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -62.78 -46.6 87.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.28 176.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.09 82.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.557 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -72.36 -14.85 61.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.672 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -89.09 -31.14 12.38 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.95 -50.98 72.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.911 0.386 . . . . 0.0 109.972 174.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 61.85 32.92 17.92 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.59 175.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -68.38 -15.52 63.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.185 0.517 . . . . 0.0 110.839 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 4.0 m -63.3 -34.79 78.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.562 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -128.67 172.72 10.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.57 -176.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 18.6 p -106.52 -8.72 16.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.021 0.438 . . . . 0.0 110.805 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.1 m -94.82 159.0 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.624 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 87.5 mt -109.86 162.79 14.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.088 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.96 63.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.045 0.45 . . . . 0.0 110.67 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -130.16 124.79 33.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.425 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LEU . . . . . 0.65 HD23 ' HB2' ' A' ' 163' ' ' HIS . 27.7 tp -82.61 148.53 27.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.364 -175.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -54.48 11.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.989 0.423 . . . . 0.0 110.514 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -79.84 -7.8 58.91 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.228 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' HIS . . . . . 0.65 ' HB2' HD23 ' A' ' 160' ' ' LEU . 88.5 m-70 -141.65 79.84 1.7 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -74.53 155.34 38.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -71.2 2.52 4.54 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -92.8 -19.48 21.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 48.4 m80 . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.196 179.641 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.6 mtt . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.126 0.489 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.514 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -127.18 125.84 41.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.626 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.28 152.38 34.22 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -138.31 112.86 8.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.09 0.472 . . . . 0.0 111.348 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.538 HG21 ' HB ' ' A' ' 129' ' ' ILE . 25.6 m -123.52 112.42 17.46 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.272 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -108.06 114.08 27.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.11 0.481 . . . . 0.0 110.414 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -108.1 108.39 19.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.159 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -91.27 118.75 30.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.665 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.0 tt -126.93 123.38 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.388 0.613 . . . . 0.0 110.676 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 19.1 m -86.44 117.71 25.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.155 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.456 HD13 HD12 ' A' ' 144' ' ' ILE . 56.9 mt -98.24 125.18 51.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 120.821 0.343 . . . . 0.0 110.387 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.12 79.36 9.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.466 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.23 151.7 11.86 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.699 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 18' ' ' VAL . 51.9 Cg_exo -56.49 135.18 68.87 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.861 2.374 . . . . 0.0 112.054 177.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.624 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 86.0 mtp -55.54 -32.75 63.23 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.052 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -51.9 -48.56 64.09 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.384 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.738 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.1 mp -85.2 -32.94 22.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.423 -176.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 14' ' ' PRO . 90.0 t -55.92 -48.14 78.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.758 0.313 . . . . 0.0 110.182 177.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -69.14 -44.79 71.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.42 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 17' ' ' LEU . 1.3 t -67.49 -22.89 65.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.722 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.3 mmm -82.27 -40.82 21.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.638 0.256 . . . . 0.0 111.126 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.2 p -79.08 -35.39 42.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.845 0.355 . . . . 0.0 111.245 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -68.6 -34.74 76.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -76.75 90.17 3.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.156 0.503 . . . . 0.0 109.777 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.61 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 27.0 pt -72.45 -16.74 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.339 -175.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.04 -9.99 59.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.49 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -107.36 -0.68 22.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.596 -178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 43.4 m0 -62.16 -37.76 40.92 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.38 -29.25 47.38 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.575 1.517 . . . . 0.0 112.345 172.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.42 22.85 29.9 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.513 HD11 HG23 ' A' ' 140' ' ' ILE . 31.9 tp -130.67 -42.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.34 0.591 . . . . 0.0 109.483 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.64 -174.51 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.825 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.4 m -120.6 -39.76 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.607 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -86.77 -27.27 23.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 111.616 -175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.47 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 67.6 m-85 -88.85 108.64 19.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.064 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.34 -32.74 19.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.912 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.406 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 11.5 t -138.33 142.35 39.72 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.276 0.56 . . . . 0.0 110.592 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' ' 28' ' ' TRP . 86.5 t -118.15 96.91 4.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.634 176.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -94.55 101.32 13.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.601 -172.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -72.78 107.93 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.91 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 mt -71.55 -32.6 68.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.899 0.857 . . . . 0.0 109.06 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.41 166.04 32.44 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.314 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.542 ' HB3' HG23 ' A' ' 48' ' ' VAL . 21.0 ptt180 -153.42 136.25 15.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 117.861 0.83 . . . . 0.0 111.795 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.603 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 5.1 m-20 -94.59 173.8 7.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.104 176.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.38 -34.66 48.91 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.376 0.423 . . . . 0.0 112.084 -175.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 5.7 p-10 -131.09 5.99 4.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.611 0.243 . . . . 0.0 111.536 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 60.1 mttp -132.04 97.23 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 111.154 -173.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 43' ' ' ARG . 7.0 p -95.45 124.34 48.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.114 0.483 . . . . 0.0 111.035 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.401 HG23 ' HG2' ' A' ' 68' ' ' GLU . 7.1 m -104.02 100.91 10.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.035 178.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -118.49 153.22 34.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.556 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -111.7 120.96 43.78 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.869 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.637 ' O ' ' HA ' ' A' ' 64' ' ' SER . 77.7 mt -87.81 108.47 19.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.746 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.406 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 40.2 m -97.9 117.52 32.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.64 -176.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 58.2 mtt -94.21 -161.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.636 173.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -101.64 159.57 29.04 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.517 ' HG3' HG22 ' A' ' 62' ' ' VAL . 64.8 Cg_exo -52.28 116.1 2.61 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 177.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.38 -173.67 3.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.005 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.82 71.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.917 0.389 . . . . 0.0 111.59 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.01 -6.36 48.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.55 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.72 1.16 89.14 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -77.99 125.64 29.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.105 -0.547 . . . . 0.0 110.587 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.517 HG22 ' HG3' ' A' ' 56' ' ' PRO . 40.1 t -86.52 99.73 8.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 171.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.444 ' HE3' ' CZ3' ' A' ' 65' ' ' TRP . 11.7 m95 -70.55 97.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.671 0.748 . . . . 0.0 111.264 -173.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.637 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 34.5 t -128.32 101.62 6.31 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.902 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.508 ' HA ' ' OE2' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -107.32 136.63 46.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.465 0.65 . . . . 0.0 112.289 -174.393 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.76 126.22 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.445 175.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -133.38 131.71 40.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.373 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' HG2' HG23 ' A' ' 49' ' ' THR . 48.5 mt-10 -102.59 126.49 49.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.761 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -121.84 122.38 39.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.935 0.398 . . . . 0.0 111.146 -176.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.536 HG22 ' HG2' ' A' ' 47' ' ' LYS . 62.0 t -100.84 114.62 40.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.7 176.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.85 102.26 11.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.199 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 20.5 t70 -103.25 107.54 55.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.131 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 13.4 Cg_exo -70.43 -21.35 30.5 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.266 2.644 . . . . 0.0 112.773 -177.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.22 -54.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.974 0.416 . . . . 0.0 110.417 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.1 p -79.68 -12.19 59.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.759 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 61.06 33.56 19.54 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.375 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.7 m -124.39 122.55 38.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.385 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.1 t -110.33 116.56 52.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.127 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -105.41 115.69 30.68 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.882 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.21 106.26 16.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.187 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -100.66 127.15 47.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -89.63 114.42 26.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.851 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.7 t -75.87 -43.86 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.713 -175.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.508 ' OE2' ' HA ' ' A' ' 65' ' ' TRP . 38.2 mt-10 -80.01 96.07 6.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.434 0.635 . . . . 0.0 109.469 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 12.8 p -89.65 -67.92 0.81 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.345 -170.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.439 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 103.45 -104.28 2.48 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.439 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 6.3 Cg_exo -73.94 -30.3 9.29 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.69 2.26 . . . . 0.0 111.0 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 82.3 m-85 -70.94 148.89 47.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.228 -178.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -89.99 -44.47 9.84 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 92' ' ' ASN . 67.6 t80 -145.17 140.8 28.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.971 176.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.532 ' SD ' ' HB3' ' A' ' 112' ' ' PHE . 14.5 tpt -140.11 104.28 4.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.571 0.224 . . . . 0.0 110.744 -177.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.409 ' HB2' ' CZ ' ' A' ' 90' ' ' TYR . 53.1 t30 -125.16 114.21 18.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.955 0.407 . . . . 0.0 110.911 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 mt -93.63 112.67 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.775 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.2 t -98.99 115.24 39.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.841 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.439 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 43.6 m0 -96.15 111.39 23.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.787 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -109.62 119.89 40.8 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.662 0.268 . . . . 0.0 110.518 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.78 128.28 45.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.948 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.76 149.33 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.339 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.624 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 41.4 mt-10 -85.03 121.86 28.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.977 178.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.2 m -145.02 157.45 44.12 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.69 -25.56 62.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.781 0.324 . . . . 0.0 111.522 -173.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -77.15 -14.53 59.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.969 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.24 -169.26 24.32 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.9 m -80.92 111.86 17.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.805 0.336 . . . . 0.0 110.298 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 81.7 t -83.45 112.23 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.507 ' HE2' ' HB3' ' A' ' 106' ' ' MET . 42.7 ttp -107.65 122.18 46.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.031 0.443 . . . . 0.0 110.428 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -91.39 119.38 31.34 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.929 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -92.57 85.78 5.4 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 15.0 m -96.27 107.31 19.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.357 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -91.77 112.17 23.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.016 0.436 . . . . 0.0 110.416 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -98.55 99.28 10.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.322 -0.854 . . . . 0.0 108.751 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.532 ' HB3' ' SD ' ' A' ' 91' ' ' MET . 33.1 p90 -126.87 118.13 23.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.594 0.711 . . . . 0.0 111.755 -174.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.514 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -89.69 125.95 35.46 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 53.3 ttp -170.9 150.32 3.14 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.648 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 37.7 tttp -156.81 -50.05 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 123.326 0.391 . . . . 0.0 110.894 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 31.1 Cg_exo -64.5 139.66 65.55 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.069 1.846 . . . . 0.0 112.116 175.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 38.9 t70 75.73 -19.15 0.42 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.669 0.788 . . . . 0.0 111.503 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -103.53 107.42 56.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.848 0.356 . . . . 0.0 110.98 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -86.15 32.45 0.46 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.56 2.84 . . . . 0.0 111.772 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.527 HG12 ' HD1' ' A' ' 124' ' ' TRP . 33.0 m -94.11 170.63 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.596 -173.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -125.08 35.51 4.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.129 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.3 t70 68.29 -67.78 0.19 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.135 -0.938 . . . . 0.0 111.267 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.404 ' HA ' ' HB ' ' A' ' 126' ' ' THR . . . -61.71 -22.16 65.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.876 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.527 ' HD1' HG12 ' A' ' 120' ' ' VAL . 73.1 t-105 -63.9 -41.86 97.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.357 0.598 . . . . 0.0 109.428 175.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.445 ' SD ' HG21 ' A' ' 120' ' ' VAL . 95.2 mtp -79.39 -36.65 38.83 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.911 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' ' 130' ' ' ASN . 31.5 m -53.83 -46.87 71.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.443 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 13.5 t70 -66.79 -52.19 46.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.752 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -58.79 -51.99 67.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.092 0.472 . . . . 0.0 111.275 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.538 ' HB ' HG21 ' A' ' 5' ' ' THR . 89.9 mt -66.55 -32.03 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.233 -176.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 126' ' ' THR . 18.2 t-20 -58.57 -44.15 89.64 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 44.8 mtt-85 -72.46 -46.61 54.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.231 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -57.04 -57.56 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.329 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.4 m -65.2 -36.04 82.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.139 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 134' ' ' ARG . 13.0 ttm180 -64.23 -46.69 82.71 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.048 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.9 m -62.83 -45.73 91.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.967 0.413 . . . . 0.0 110.281 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -60.02 -50.81 72.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.022 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.511 ' SD ' HD12 ' A' ' 140' ' ' ILE . 88.5 mmm -76.79 -14.03 59.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.266 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.85 -40.0 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.5 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 52.4 tp -63.04 -45.16 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.545 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.513 HG23 HD11 ' A' ' 31' ' ' LEU . 51.5 mt -64.06 -42.28 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.717 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -44.82 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 174.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -65.27 -43.17 92.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 3.0 mmp_? -61.64 -41.39 97.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.85 178.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.456 HD12 HD13 ' A' ' 11' ' ' ILE . 60.9 mt -67.39 -43.31 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.71 -42.24 98.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 110.086 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.69 -43.44 80.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.556 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.96 -40.84 68.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.175 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.455 ' HA ' HD22 ' A' ' 17' ' ' LEU . . . -71.17 -23.42 62.05 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -81.83 -37.63 15.87 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.447 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.9 -53.64 12.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 0.0 110.894 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -115.05 133.37 56.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.625 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -132.87 -178.77 5.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.526 -173.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 6.7 m -67.44 -20.24 65.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.892 0.377 . . . . 0.0 110.384 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . 69.95 -170.82 0.17 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.222 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 25.8 t -144.38 89.32 2.0 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.12 0.486 . . . . 0.0 110.356 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 39.7 t -103.67 105.8 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 52.2 mt -83.19 -43.75 15.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.533 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -159.1 166.87 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.113 0.482 . . . . 0.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -123.83 -30.07 3.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.616 174.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 92.3 mt -118.62 175.82 5.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.739 173.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.96 178.98 5.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.6 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' A' ' 166' ' ' HIS . 10.7 m-70 -84.5 -25.46 28.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 111.317 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -80.9 -29.46 35.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.425 0.631 . . . . 0.0 109.547 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -76.49 -49.75 15.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.183 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -118.09 101.73 8.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.552 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 162' ' ' HIS . 10.1 t-160 -64.09 -50.44 68.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -171.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.517 -0.754 . . . . 0.0 109.867 179.314 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.604 0.24 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 112' ' ' PHE . . . -116.32 122.0 43.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.732 0.301 . . . . 0.0 110.744 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -116.38 144.1 18.3 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.824 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -104.55 82.0 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 m -83.96 114.89 22.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.397 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -113.78 90.24 3.29 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.42 104.61 16.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.66 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 25.0 mt-10 -95.4 155.99 16.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.088 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 tt -158.09 140.25 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.007 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 m -96.79 113.93 25.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.53 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.532 HG22 ' H ' ' A' ' 13' ' ' ALA . 53.3 mt -98.93 129.65 48.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.84 -13.46 58.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.935 0.398 . . . . 0.0 111.375 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -67.52 150.94 97.6 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.203 178.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.31 153.14 79.2 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.758 2.305 . . . . 0.0 112.773 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 83.9 mmm -50.97 -37.22 43.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.128 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.35 -76.9 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.186 0 O-C-N 123.589 0.556 . . . . 0.0 111.673 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.443 HD12 ' H ' ' A' ' 17' ' ' LEU . 7.3 mp -51.87 -42.83 62.96 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 122.6 0.36 . . . . 0.0 111.918 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -53.48 -55.5 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 O-C-N 123.057 0.223 . . . . 0.0 111.423 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.455 ' CH2' ' HA ' ' A' ' 76' ' ' ARG . 9.9 t-105 -69.45 -47.3 64.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.7 m -51.68 -53.06 43.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.458 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 mtt -75.32 -48.51 22.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.719 0.295 . . . . 0.0 111.729 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -69.03 -27.23 65.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.409 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 28.7 m-80 -90.85 -9.39 46.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -176.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -96.14 111.46 23.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 171.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.586 HD11 HG22 ' A' ' 40' ' ' VAL . 25.7 pt -72.11 -9.01 12.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.691 -168.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.39 -3.04 58.08 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.16 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HB3' HD13 ' A' ' 31' ' ' LEU . 10.1 mptt -106.45 3.94 27.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.968 0.413 . . . . 0.0 110.327 175.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.524 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 35.5 m0 -64.53 -51.08 62.06 Favored Pre-proline 0 C--O 1.218 -0.59 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.267 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 9.5 Cg_endo -54.33 -31.88 69.39 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.855 1.703 . . . . 0.0 112.96 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.07 -53.46 4.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.522 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' A' ' 27' ' ' LYS . 11.1 mp -73.39 -55.11 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.401 . . . . 0.0 111.035 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.48 ' CD2' HD11 ' A' ' 140' ' ' ILE . 2.0 t80 -93.13 87.45 5.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -78.51 85.47 4.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.285 0.564 . . . . 0.0 110.403 -174.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -163.9 -43.81 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.389 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.487 ' HD1' ' SD ' ' A' ' 54' ' ' MET . 27.5 m-85 -73.88 141.79 46.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.845 177.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.33 -67.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.903 0.382 . . . . 0.0 111.056 -178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.57 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 17.8 m -121.74 109.38 14.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.018 0.437 . . . . 0.0 110.833 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.507 HG11 ' HB ' ' A' ' 25' ' ' ILE . 49.0 t -92.83 103.8 15.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.642 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 6.2 mm-40 -98.73 139.59 34.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.597 -172.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 25' ' ' ILE . 24.0 t -90.6 112.8 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.835 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD12 HG22 ' A' ' 49' ' ' THR . 83.7 mt -90.18 -29.39 18.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.997 0.427 . . . . 0.0 110.628 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.73 156.31 12.53 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.563 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -125.59 106.14 9.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.91 0.355 . . . . 0.0 110.5 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -107.36 157.5 17.91 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -45.46 -45.65 13.15 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.04 0.837 . . . . 0.0 112.168 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -116.87 6.33 13.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.671 -177.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -145.42 95.1 2.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.697 0.284 . . . . 0.0 111.596 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.816 HG13 ' HB3' ' A' ' 69' ' ' ARG . 3.5 p -95.95 96.29 5.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.806 0.812 . . . . 0.0 108.971 171.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.441 HG22 HD12 ' A' ' 41' ' ' LEU . 14.0 m -79.33 123.81 27.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.781 -175.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.449 ' CE1' ' HG ' ' A' ' 52' ' ' LEU . 55.1 p90 -124.81 155.91 38.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.136 0.493 . . . . 0.0 111.12 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.642 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 41.4 ttt180 -113.68 112.11 22.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.915 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' HG ' ' CE1' ' A' ' 50' ' ' PHE . 28.7 mt -86.99 100.54 12.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.236 0.541 . . . . 0.0 110.444 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.57 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 29.4 m -97.12 114.8 26.51 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.119 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.487 ' SD ' ' HD1' ' A' ' 35' ' ' TYR . 90.3 mmm -87.31 167.49 14.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -57.32 134.99 81.38 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.496 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.92 118.34 4.67 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 123.015 2.476 . . . . 0.0 111.634 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -57.37 149.3 20.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.311 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.35 -26.45 60.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.86 -10.03 59.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.995 0.426 . . . . 0.0 110.877 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.04 40.48 4.58 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.466 176.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -125.37 124.48 41.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.4 t -91.16 107.77 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.873 0.368 . . . . 0.0 110.245 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.561 ' HE3' ' HZ3' ' A' ' 65' ' ' TRP . 11.6 m95 -75.44 101.6 4.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.424 0.63 . . . . 0.0 110.7 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 m -126.0 114.86 19.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.199 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.561 ' HZ3' ' HE3' ' A' ' 63' ' ' TRP . 9.9 p90 -115.04 135.84 53.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.284 0.564 . . . . 0.0 110.929 177.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.8 t -89.38 134.4 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.205 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 33.5 t -138.63 139.25 38.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.94 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.407 ' HG2' HG23 ' A' ' 49' ' ' THR . 35.8 mt-10 -103.26 123.19 46.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.816 ' HB3' HG13 ' A' ' 48' ' ' VAL . 67.5 ttt180 -103.42 123.72 47.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.177 -172.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -106.84 103.05 14.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.222 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.69 107.12 18.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.689 0.281 . . . . 0.0 110.412 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 14.5 t70 -102.6 105.23 43.11 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.805 177.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 10.2 Cg_exo -71.67 -22.6 23.9 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 123.158 2.572 . . . . 0.0 112.661 -176.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.43 -49.55 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.176 0.512 . . . . 0.0 110.826 -176.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 m -88.55 -4.67 58.55 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.517 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 3.1 mpt_? 57.03 42.01 26.68 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.444 0.64 . . . . 0.0 110.077 -175.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 94.3 m -124.74 121.12 33.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.584 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.579 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 22.5 t -107.44 100.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.262 0.553 . . . . 0.0 109.586 176.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -92.32 111.28 22.79 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.67 -174.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.96 112.43 24.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.909 0.385 . . . . 0.0 110.831 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -103.97 128.26 51.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.248 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -89.24 109.18 20.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.2 t -63.46 -42.5 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.369 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -76.55 111.62 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.35 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.8 p -95.83 -74.86 0.54 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.019 -172.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.6 -128.79 8.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.788 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.99 -36.64 81.84 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.534 2.156 . . . . 0.0 111.557 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -87.66 92.87 9.26 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.299 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.02 -29.77 70.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.289 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.708 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 36.0 t80 -132.33 121.7 23.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.317 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 82.4 mmm -129.94 96.4 4.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -123.6 105.3 9.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.752 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.517 HG12 ' HG3' ' A' ' 110' ' ' GLN . 9.5 mt -105.46 107.41 22.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.142 0.496 . . . . 0.0 110.384 -176.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.567 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 93.8 t -94.67 108.97 21.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.913 -178.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.579 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 20.8 m0 -90.46 105.7 18.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.646 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.1 tt0 -102.66 136.87 41.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.607 -176.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -120.11 128.7 53.7 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -124.2 126.13 45.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.764 0.316 . . . . 0.0 111.396 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.54 109.18 4.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.958 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 m -120.62 157.75 28.86 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.04 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 111.191 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -76.64 -36.79 57.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.421 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 162.9 -169.32 38.06 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.703 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 86.2 m -81.69 109.47 16.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.948 0.404 . . . . 0.0 110.628 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.7 t -84.66 121.1 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.492 ' HA ' ' O ' ' A' ' 96' ' ' GLU . 52.9 ttp -111.03 129.22 55.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.751 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.66 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 50.4 mtt-85 -100.85 126.85 47.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.984 175.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -98.87 83.92 3.01 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 166.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.567 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 8.9 m -88.16 92.47 9.16 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.269 -177.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.517 ' HG3' HG12 ' A' ' 93' ' ' ILE . 53.4 tt0 -96.95 101.04 12.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.031 0.443 . . . . 0.0 110.608 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.4 95.92 8.91 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 172.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 25.6 p90 -109.53 134.66 51.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.328 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.708 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -124.39 103.96 8.5 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.581 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 19.6 ptm -116.14 147.01 41.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.989 0.423 . . . . 0.0 110.662 -176.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.748 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 87.9 tttt -157.18 -54.93 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.361 -173.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 24.9 Cg_exo -63.19 115.86 3.24 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.78 1.653 . . . . 0.0 111.954 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 64.29 28.41 13.83 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.273 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.24 104.61 30.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -82.84 -3.82 11.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.712 2.274 . . . . 0.0 112.187 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.5 HG21 ' HG2' ' A' ' 125' ' ' MET . 29.1 m -79.59 146.76 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.393 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.84 44.93 1.13 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.995 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.6 t70 69.94 -68.73 0.19 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.192 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.86 -21.35 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.771 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.416 ' HB3' ' HB ' ' A' ' 120' ' ' VAL . 74.9 t-105 -64.08 -43.81 94.3 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.888 0.375 . . . . 0.0 110.183 178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.581 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 90.5 mmm -74.74 -29.89 61.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.4 m -53.97 -53.42 53.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.324 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.55 -33.86 67.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.44 179.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -61.06 -48.34 82.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.425 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.62 -41.55 93.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.441 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -53.26 -52.91 57.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.117 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -64.58 -47.97 76.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.246 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' A' ' 136' ' ' GLN . 8.8 t30 -59.06 -58.07 10.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.564 ' O ' ' HG2' ' A' ' 137' ' ' MET . 31.4 m -64.77 -37.67 88.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -175.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -54.49 -48.68 71.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.928 0.395 . . . . 0.0 110.36 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 25.7 m -62.86 -40.4 97.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 132' ' ' ASN . 9.9 mm100 -70.12 -36.24 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 133' ' ' SER . 27.1 mmt -63.63 -48.18 78.34 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.557 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.54 83.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.324 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 2.1 tm? -61.44 -49.66 75.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.906 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.48 HD11 ' CD2' ' A' ' 32' ' ' PHE . 70.3 mt -63.1 -47.61 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.212 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.52 ' HG3' HG12 ' A' ' 11' ' ' ILE . 62.6 ttp85 -56.13 -45.43 79.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.961 0.41 . . . . 0.0 110.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.495 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 35.7 t70 -58.21 -51.99 67.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.536 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 25.7 mmt85 -57.28 -48.67 78.31 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.612 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 50.3 mt -66.15 -43.33 92.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.317 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.82 -21.95 58.99 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.522 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 96.5 mt-30 -69.54 -32.86 71.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 170.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.16 -45.1 20.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.807 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.24 -26.72 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.541 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -80.42 -27.86 50.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.144 -0.55 . . . . 0.0 111.957 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -75.55 -23.68 56.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.305 0.574 . . . . 0.0 109.735 176.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -59.56 124.56 20.48 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -60.36 -46.74 88.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.718 0.294 . . . . 0.0 111.246 -171.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 26.5 p -127.99 154.0 46.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.979 176.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.78 127.86 34.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 39.8 m -64.37 -19.61 65.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 17.4 m -91.82 136.37 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.782 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 90.1 mt -93.35 114.51 26.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.84 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -83.18 101.5 11.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.042 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -73.38 140.16 46.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.579 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 96.7 mt -119.01 -178.22 3.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.802 -175.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -65.35 -54.3 30.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.812 -176.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -111.04 123.14 49.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.894 0.378 . . . . 0.0 111.014 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -107.2 114.92 29.28 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -109.25 127.06 53.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.33 -178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -96.93 144.5 26.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.42 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -60.74 -54.47 44.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.304 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 40.1 m80 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.253 -178.919 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 112' ' ' PHE . . . -126.37 156.83 39.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.485 -177.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.446 ' CA ' ' HB3' ' A' ' 122' ' ' ASP . . . -74.44 125.49 8.69 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.038 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -124.93 102.09 7.37 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.182 0.515 . . . . 0.0 110.335 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.457 ' OG1' ' HA ' ' A' ' 126' ' ' THR . 24.3 m -99.26 125.88 44.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.08 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.446 ' CG ' HH21 ' A' ' 107' ' ' ARG . 23.2 t0 -123.48 97.99 5.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -105.17 109.05 20.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.339 -177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.602 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 29.7 mt-10 -100.29 127.42 46.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.01 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 mm -121.39 116.12 48.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.141 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.3 m -80.79 103.64 10.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.016 0.436 . . . . 0.0 110.62 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.477 HG12 ' HG3' ' A' ' 141' ' ' ARG . 45.7 mt -97.12 128.97 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.68 35.56 0.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.176 0.513 . . . . 0.0 110.949 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.87 147.98 42.32 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.344 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' O ' HG23 ' A' ' 18' ' ' VAL . 52.5 Cg_exo -53.97 130.65 40.41 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 123.103 2.535 . . . . 0.0 112.46 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.413 ' HE2' ' HB3' ' A' ' 97' ' ' TYR . 51.0 ttm -55.51 -32.32 62.79 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.394 -178.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.18 -45.87 86.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -75.36 -41.84 55.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.123 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.445 HG22 HG21 ' A' ' 144' ' ' ILE . 59.3 t -55.46 -46.18 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -65.5 -48.11 73.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.5 t -69.2 -33.91 74.07 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.185 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.6 mtt -73.62 -31.06 63.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.633 0.254 . . . . 0.0 111.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.1 p -89.92 -11.83 40.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.058 0.456 . . . . 0.0 110.709 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.06 -41.18 74.49 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.925 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.439 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 15.4 t0 -73.76 101.73 3.78 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.932 178.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.572 HD11 HG22 ' A' ' 40' ' ' VAL . 42.6 pt -75.43 -12.25 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.416 -176.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -85.64 -1.28 56.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.409 0.623 . . . . 0.0 109.863 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' HD2' ' HB3' ' A' ' 24' ' ' ASP . 49.6 mttp -101.48 -9.73 20.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.343 175.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.53 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 44.5 m0 -56.69 -49.26 94.71 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.381 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.8 Cg_endo -60.06 -14.91 30.7 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.08 1.853 . . . . 0.0 112.585 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.57 -40.53 5.33 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.1 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.534 HD23 HG23 ' A' ' 140' ' ' ILE . 10.8 mp -85.4 -48.71 8.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 111.038 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.03 111.95 20.78 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -89.02 -11.22 44.83 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -77.15 -20.17 55.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.08 0.467 . . . . 0.0 110.563 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -105.27 160.07 15.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.12 -54.91 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.515 -176.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 68.5 m -147.31 150.95 35.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.936 0.398 . . . . 0.0 111.325 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.436 HG21 ' HB2' ' A' ' 28' ' ' TRP . 74.5 t -123.77 107.19 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.407 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -98.01 132.67 43.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.758 -175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.572 HG22 HD11 ' A' ' 25' ' ' ILE . 54.0 t -77.44 111.78 14.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.8 tp -80.12 -34.07 38.15 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.46 156.26 15.75 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.624 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -122.47 85.34 2.4 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -90.37 100.99 13.73 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.551 -171.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 65.89 -83.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.775 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -129.94 -3.03 4.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HG2' HG22 ' A' ' 70' ' ' VAL . 97.2 mttt -88.02 127.37 35.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.321 177.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.456 HG11 HH21 ' A' ' 69' ' ' ARG . 6.1 p -108.8 104.28 16.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.819 0.819 . . . . 0.0 110.024 176.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.463 HG23 ' HG2' ' A' ' 68' ' ' GLU . 38.2 m -92.41 118.24 30.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.031 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.482 ' HB3' HD12 ' A' ' 25' ' ' ILE . 50.8 p90 -113.93 142.29 46.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.495 0.664 . . . . 0.0 111.009 -177.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -105.42 101.58 11.1 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.371 175.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.516 ' O ' ' HA ' ' A' ' 64' ' ' SER . 3.4 tt -82.65 116.06 21.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.551 -174.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.1 m -100.71 108.64 20.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.436 0.636 . . . . 0.0 110.366 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.512 ' HB3' ' HB2' ' A' ' 63' ' ' TRP . 16.4 ttt -98.94 167.76 10.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -62.57 131.85 94.23 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.719 0.295 . . . . 0.0 111.583 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.42 ' HB3' HG22 ' A' ' 62' ' ' VAL . 26.6 Cg_endo -62.96 146.28 94.75 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.936 2.424 . . . . 0.0 111.954 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -90.42 -170.63 2.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.22 -19.66 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 111.061 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.51 -25.37 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.289 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.61 -1.21 87.11 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 -170.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -73.89 109.3 7.28 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.399 -0.9 . . . . 0.0 109.53 176.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' A' ' 56' ' ' PRO . 56.0 t -74.96 120.68 24.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 65' ' ' TRP . 49.3 m0 -76.48 83.93 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.991 0.424 . . . . 0.0 110.247 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 11.3 t -121.0 110.51 16.36 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.519 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 63' ' ' TRP . 2.7 p90 -119.5 147.95 43.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.429 -175.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.15 128.02 42.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.341 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 14.7 m -134.81 138.55 44.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.788 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.463 ' HG2' HG23 ' A' ' 49' ' ' THR . 57.6 mt-10 -107.36 128.91 54.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.456 HH21 HG11 ' A' ' 48' ' ' VAL . 29.6 ttp180 -119.58 125.06 47.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.86 0.362 . . . . 0.0 111.179 -176.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.488 HG22 ' HG2' ' A' ' 47' ' ' LYS . 29.3 t -115.62 117.78 56.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB2' HG13 ' A' ' 78' ' ' VAL . . . -119.36 102.89 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.183 -175.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 3.7 p-10 -97.22 121.48 58.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.402 0.62 . . . . 0.0 109.906 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 10.0 Cg_exo -73.05 -8.53 22.32 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.107 2.538 . . . . 0.0 111.789 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.39 -56.34 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.391 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.67 -6.47 46.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.59 -177.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HB3' ' HB2' ' A' ' 97' ' ' TYR . 9.8 mpt_? 62.93 46.84 4.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.223 -176.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.5 m -131.48 123.08 27.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.134 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.595 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.2 t -108.49 112.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.101 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 74.6 mtt85 -101.08 110.7 22.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.603 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.428 ' HB2' ' HG3' ' A' ' 69' ' ' ARG . . . -111.16 100.17 8.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.771 0.32 . . . . 0.0 110.476 177.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -93.65 119.93 33.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 0.0 110.644 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -90.6 111.2 22.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.928 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 52.5 t -66.59 -58.78 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.52 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -82.82 94.05 7.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.451 0.643 . . . . 0.0 109.776 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.596 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -82.29 -21.99 35.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.485 -174.157 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.63 -112.93 3.83 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.815 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.96 -26.31 15.44 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.942 2.428 . . . . 0.0 111.912 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 25.8 m-85 -82.11 168.67 17.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.69 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -101.48 -63.66 1.12 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.219 0.533 . . . . 0.0 109.63 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 112' ' ' PHE . 92.0 t80 -114.01 148.16 37.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.466 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 52.3 ttm -164.42 108.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.011 0.434 . . . . 0.0 111.165 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -112.28 113.25 25.37 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.54 HG23 ' HG2' ' A' ' 110' ' ' GLN . 41.7 mt -91.59 103.23 14.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.212 -177.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.9 t -98.55 113.22 32.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.05 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.595 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 19.0 m0 -92.03 100.29 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 172.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -97.31 130.21 44.51 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.413 ' HB3' ' HE2' ' A' ' 15' ' ' MET . 85.7 m-85 -109.06 109.2 20.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 -177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.2 119.13 38.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -81.77 129.88 34.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.13 0.491 . . . . 0.0 110.652 -176.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.6 m -124.55 162.74 23.39 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.29 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.41 68.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 0.0 111.754 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -97.48 2.74 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.1 -169.42 24.73 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.249 -0.976 . . . . 0.0 112.321 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -95.93 119.19 33.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.604 0.24 . . . . 0.0 110.675 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 91.9 t -80.23 103.91 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.319 0.58 . . . . 0.0 109.712 174.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.48 ' SD ' ' HD1' ' A' ' 108' ' ' TRP . 11.6 tmm? -89.06 121.04 31.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.267 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.602 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 71.6 mtp180 -106.2 123.21 47.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.582 0.229 . . . . 0.0 111.451 -177.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.48 ' HD1' ' SD ' ' A' ' 106' ' ' MET . 0.9 OUTLIER -96.0 82.59 3.53 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 169.708 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.4 m -95.19 101.62 13.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.877 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.54 ' HG2' HG23 ' A' ' 93' ' ' ILE . 55.3 mt-30 -103.1 118.05 35.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.989 0.423 . . . . 0.0 110.99 -176.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -93.85 98.56 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.45 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 54.9 p90 -122.25 156.68 33.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.411 . . . . 0.0 110.626 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.14 121.14 14.63 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.803 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 93.9 mmm -80.33 141.46 35.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.485 ' H ' ' CD ' ' A' ' 116' ' ' PRO . 17.6 tptp -131.98 -47.18 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -177.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.485 ' CD ' ' H ' ' A' ' 115' ' ' LYS . 51.1 Cg_exo -58.02 -9.77 6.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.023 1.815 . . . . 0.0 112.99 177.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 66.6 74.14 0.35 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.546 0.688 . . . . 0.0 110.252 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 119' ' ' PRO . . . -91.37 161.32 34.99 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.28 178.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 118' ' ' ALA . 10.5 Cg_endo -55.14 -36.46 93.13 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.716 2.277 . . . . 0.0 111.47 176.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.7 m -75.67 112.98 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.621 0.724 . . . . 0.0 109.888 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 125' ' ' MET . 28.7 m-20 -80.11 165.22 22.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.444 -176.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.446 ' HB3' ' CA ' ' A' ' 3' ' ' GLY . 5.8 m-20 -56.54 -36.42 69.22 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.54 84.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -64.72 -41.89 95.65 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.88 0.372 . . . . 0.0 110.068 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 121' ' ' ASP . 82.7 mmm -65.6 -34.7 78.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.632 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.457 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 88.8 m -57.65 -44.47 85.67 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 110.127 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.1 -44.37 80.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -58.51 -53.18 61.21 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.445 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.45 -42.54 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.677 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -55.58 -51.82 65.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 131' ' ' ARG . 48.3 mtm180 -69.95 -44.34 69.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.31 -178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -62.18 -49.67 74.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.674 0.273 . . . . 0.0 110.84 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.1 m -61.58 -45.43 94.17 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 46.1 ttm180 -58.32 -38.35 76.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.329 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 20.4 m -70.97 -53.49 14.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -67.74 -41.34 83.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.714 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 93.8 mmm -74.16 -20.6 60.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.865 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 141' ' ' ARG . . . -71.74 -37.0 70.62 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 172.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 46.2 tp -60.88 -49.22 78.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.632 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.534 HG23 HD23 ' A' ' 31' ' ' LEU . 65.9 mt -66.03 -37.32 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.367 177.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.477 ' HG3' HG12 ' A' ' 11' ' ' ILE . 44.8 ttt-85 -51.96 -52.55 49.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.494 176.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.37 -46.41 90.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.756 0.312 . . . . 0.0 110.3 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -56.36 -49.06 75.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.104 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.445 HG21 HG22 ' A' ' 18' ' ' VAL . 31.9 mm -61.47 -46.81 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.328 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.97 -37.52 78.84 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.737 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.43 -43.2 98.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.099 0.476 . . . . 0.0 110.069 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.86 67.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.017 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.56 -33.14 68.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.395 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -70.34 -30.99 68.8 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.541 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.75 -33.23 72.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.804 0.335 . . . . 0.0 110.761 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? 59.06 74.31 0.45 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.679 -170.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -67.63 121.56 16.16 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.174 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.7 m -61.98 134.89 57.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.06 108.34 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 20.3 m -70.26 114.27 8.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.333 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.495 HG12 ' HB2' ' A' ' 158' ' ' ALA . 57.6 t -93.25 121.37 43.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.129 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.95 -59.12 4.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.495 ' HB2' HG12 ' A' ' 156' ' ' VAL . . . 60.01 23.26 12.41 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.485 172.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -80.26 123.31 27.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.5 mt -86.16 164.93 16.95 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -168.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.9 -43.65 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.505 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -83.76 1.84 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.352 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -80.5 -23.38 40.15 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 168.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -104.64 -174.82 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.088 -1.414 . . . . 0.0 108.2 168.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 51.66 77.35 0.14 Allowed 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.712 0.291 . . . . 0.0 111.153 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -115.35 141.94 47.37 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.305 0.574 . . . . 0.0 111.922 -175.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 44.0 m80 . . . . . 0 C--O 1.247 0.935 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.364 178.286 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.402 0.144 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.58 120.21 0.47 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.225 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.76 94.96 2.05 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -86.36 89.07 7.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.508 ' HG1' ' HE2' ' A' ' 112' ' ' PHE . 6.6 m -97.28 106.79 19.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.275 -175.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -109.14 103.96 13.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.963 0.411 . . . . 0.0 110.577 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.689 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 27.1 m-80 -97.84 99.02 10.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.028 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.896 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 36.1 mt-10 -93.2 123.35 36.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.037 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.1 tt -131.55 138.22 53.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.887 0.375 . . . . 0.0 110.215 173.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.5 m -94.97 109.48 21.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.047 0.451 . . . . 0.0 110.933 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.507 HG12 ' HG3' ' A' ' 141' ' ' ARG . 43.6 mt -97.82 126.3 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.016 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.97 30.87 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.445 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.14 154.18 55.78 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.087 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.587 ' HB2' HD13 ' A' ' 17' ' ' LEU . 47.0 Cg_exo -56.86 139.71 89.88 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.866 2.378 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.734 ' SD ' ' HB2' ' A' ' 99' ' ' GLU . 77.8 mtp -51.72 -47.93 63.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.036 -175.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.51 -33.99 73.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.303 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD13 ' HB2' ' A' ' 14' ' ' PRO . 10.3 mp -71.25 -41.59 69.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.2 -46.74 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.943 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.536 ' HZ2' ' HB1' ' A' ' 71' ' ' ALA . 17.2 t-105 -55.7 -62.44 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.925 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -62.12 -32.83 73.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -172.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.6 mmm -81.62 -41.78 20.99 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -82.47 -27.76 31.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.778 0.323 . . . . 0.0 111.474 -175.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -84.26 -8.63 58.98 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.036 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -82.08 96.61 7.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 HG22 ' A' ' 40' ' ' VAL . 32.8 pt -65.61 -20.65 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.172 -170.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.77 -11.85 61.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.114 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -100.29 -7.69 24.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.246 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.496 ' HB2' HG21 ' A' ' 38' ' ' VAL . 47.5 m0 -60.68 -43.34 91.85 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.64 -22.53 44.32 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.022 1.815 . . . . 0.0 112.882 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.86 23.24 14.96 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.936 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.539 ' HG ' HG12 ' A' ' 140' ' ' ILE . 59.7 tp -138.76 -53.76 0.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.142 0.496 . . . . 0.0 109.769 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.06 155.38 28.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.678 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -90.36 -34.1 15.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.809 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -86.37 -16.6 36.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -170.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -107.09 125.93 51.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.965 0.412 . . . . 0.0 111.354 -171.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.32 -38.64 11.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.732 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.546 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 40.6 t -140.46 144.34 36.02 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.448 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.528 HG11 ' HB ' ' A' ' 25' ' ' ILE . 68.0 t -139.2 109.51 4.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -107.49 148.49 29.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.034 0.445 . . . . 0.0 111.591 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 25' ' ' ILE . 42.5 t -85.73 111.95 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.6 tp -85.82 -14.09 46.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.334 0.588 . . . . 0.0 109.948 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.9 156.24 7.56 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.297 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.608 ' HB3' HG23 ' A' ' 48' ' ' VAL . 20.4 ptt180 -150.84 122.14 7.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.331 0.586 . . . . 0.0 111.024 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -134.98 95.76 3.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.757 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t70 65.91 -80.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 O-C-N 124.013 0.821 . . . . 0.0 111.48 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -102.78 -40.25 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.656 0.741 . . . . 0.0 109.374 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -79.54 94.17 5.57 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.525 -170.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.608 HG23 ' HB3' ' A' ' 43' ' ' ARG . 3.2 p -112.9 108.17 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.859 0.838 . . . . 0.0 110.317 173.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.57 HG23 ' HG2' ' A' ' 68' ' ' GLU . 7.2 m -87.1 129.86 34.75 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.055 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -124.51 150.16 46.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.443 0.64 . . . . 0.0 111.456 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -110.43 118.17 35.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.145 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 64' ' ' SER . 47.7 mt -96.99 107.59 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.05 0.452 . . . . 0.0 110.715 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 27.3 m -109.11 125.69 52.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.517 -174.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.2 mtt -97.84 -175.07 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.024 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -69.04 149.4 97.79 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.015 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.475 ' HB3' HG22 ' A' ' 62' ' ' VAL . 18.0 Cg_endo -60.62 123.92 14.01 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.722 2.281 . . . . 0.0 111.434 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.47 163.9 19.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.846 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.01 -16.68 60.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -78.07 -2.32 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.214 0.53 . . . . 0.0 110.376 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.96 29.47 46.61 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.745 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -128.59 130.22 47.04 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.475 HG22 ' HB3' ' A' ' 56' ' ' PRO . 26.3 t -88.66 124.68 41.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.088 -178.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -87.21 102.03 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.275 0.56 . . . . 0.0 110.461 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 34.7 t -136.79 116.42 12.95 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.96 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.57 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 43.6 p90 -111.95 161.75 16.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.094 0.473 . . . . 0.0 110.659 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.8 t -104.56 138.11 30.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.868 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.1 m -144.95 158.93 43.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.57 ' HG2' HG23 ' A' ' 49' ' ' THR . 19.7 mt-10 -123.0 134.64 54.31 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.448 -175.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.522 ' HB3' HG13 ' A' ' 48' ' ' VAL . 42.8 ttt-85 -107.86 126.45 52.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.891 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.0 t -119.1 100.67 10.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 172.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.536 ' HB1' ' HZ2' ' A' ' 19' ' ' TRP . . . -98.36 105.57 17.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.726 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 11.0 t70 -80.02 111.66 23.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 6.3 Cg_exo -74.15 -19.63 19.89 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.942 2.428 . . . . 0.0 112.904 -174.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.24 -51.21 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.025 0.441 . . . . 0.0 110.555 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -84.98 -11.42 55.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.346 0.593 . . . . 0.0 110.124 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 58.04 51.21 9.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.396 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.5 m -129.84 125.18 35.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.047 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.57 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 24.6 t -104.63 108.82 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.82 0.343 . . . . 0.0 110.704 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -100.87 109.19 21.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.976 0.417 . . . . 0.0 110.353 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 68' ' ' GLU . . . -111.85 107.76 16.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -86.64 141.7 28.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.929 0.395 . . . . 0.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 91' ' ' MET . 23.5 ttt180 -91.73 122.38 34.23 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.4 t -83.13 -56.87 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.82 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.57 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 10.8 mm-40 -75.25 123.97 26.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.923 0.392 . . . . 0.0 110.681 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 35.1 p -76.35 -88.09 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -170.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.2 -123.6 7.67 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -174.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -72.52 -15.97 27.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 111.791 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.629 ' O ' ' HB ' ' A' ' 85' ' ' THR . 71.3 m-85 -103.78 160.19 14.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.195 -177.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -93.61 -41.95 9.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.482 0.658 . . . . 0.0 109.644 174.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -151.82 152.19 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.397 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.539 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 51.0 ttm -152.43 118.31 5.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.79 0.328 . . . . 0.0 110.542 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -116.33 109.13 16.96 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.551 HG12 ' HG3' ' A' ' 110' ' ' GLN . 28.4 mt -93.95 103.7 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 110.494 -176.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.496 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 40.9 t -100.07 114.97 40.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.57 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 48.1 m0 -92.75 100.5 12.98 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.686 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.5 tt0 -94.98 109.69 21.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.037 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -92.54 111.2 22.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.216 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -119.41 109.16 15.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.764 0.316 . . . . 0.0 110.63 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.734 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 37.0 tt0 -67.61 128.31 36.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.066 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.5 m -129.2 165.42 21.37 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.1 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.44 -30.69 30.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -96.36 2.67 52.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.8 0.333 . . . . 0.0 111.553 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.87 -170.21 21.76 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.398 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.0 m -81.87 111.04 17.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.857 0.36 . . . . 0.0 110.627 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.4 t -86.84 110.82 20.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.421 ' HE2' ' HB3' ' A' ' 106' ' ' MET . 33.7 ttp -100.67 118.2 36.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.279 0.562 . . . . 0.0 109.977 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.896 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 94.5 mtt180 -95.62 109.73 21.94 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.156 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.689 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 4.8 m95 -84.2 79.13 9.64 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.885 174.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.496 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 9.2 m -83.13 90.05 7.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.997 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.551 ' HG3' HG12 ' A' ' 93' ' ' ILE . 34.1 tt0 -91.04 99.11 12.2 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -93.38 98.85 11.49 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.659 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.508 ' HE2' ' HG1' ' A' ' 5' ' ' THR . 41.5 p90 -120.38 159.95 24.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.112 0.482 . . . . 0.0 110.885 -178.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.96 123.77 28.04 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.738 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 49.9 mtp -98.01 144.93 27.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.978 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.577 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 44.5 mmtm -145.81 -47.01 0.02 OUTLIER Pre-proline 0 C--N 1.318 -0.764 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.211 -172.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.577 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 47.1 Cg_exo -43.05 158.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.426 1.418 . . . . 0.0 111.899 166.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.63 32.42 0.2 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.612 -168.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -57.88 143.93 75.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.641 175.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 12.3 Cg_exo -71.49 6.62 1.83 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.18 2.587 . . . . 0.0 113.218 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.413 ' HB ' ' HB3' ' A' ' 124' ' ' TRP . 24.1 m -117.97 135.77 57.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.6 74.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.254 -173.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 62.39 -77.1 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.903 0.752 . . . . 0.0 112.047 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.455 ' O ' ' HB ' ' A' ' 126' ' ' THR . . . -64.13 -20.08 65.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -170.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.413 ' HB3' ' HB ' ' A' ' 120' ' ' VAL . 31.9 t-105 -61.84 -51.34 68.62 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.526 0.679 . . . . 0.0 109.737 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 66.6 mtp -70.62 -27.19 63.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.08 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 123' ' ' ALA . 52.8 m -52.34 -46.04 65.9 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 173.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.13 -41.82 81.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.522 ' HA ' ' HD3' ' A' ' 131' ' ' ARG . 65.6 t30 -68.89 -33.33 73.6 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.095 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.413 HD13 ' OE1' ' A' ' 110' ' ' GLN . 73.4 mt -65.48 -40.59 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.401 176.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.567 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 60.3 t30 -56.81 -40.71 76.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.268 0.556 . . . . 0.0 109.841 175.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.522 ' HD3' ' HA ' ' A' ' 128' ' ' ASN . 41.8 mtp85 -61.45 -56.85 15.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.292 177.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.0 -48.01 80.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.972 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.3 m -62.31 -46.45 88.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.186 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -57.84 -40.61 80.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.396 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.1 m -68.14 -51.6 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -65.46 -46.7 78.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.356 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.44 ' SD ' HD12 ' A' ' 140' ' ' ILE . 76.6 mmm -70.99 -25.43 62.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.28 -175.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.55 -43.96 75.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.79 -42.86 98.39 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.945 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.539 HG12 ' HG ' ' A' ' 31' ' ' LEU . 80.6 mt -65.86 -47.35 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.792 176.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.507 ' HG3' HG12 ' A' ' 11' ' ' ILE . 59.5 ttp85 -52.93 -45.39 67.62 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.184 0.302 . . . . 0.0 110.989 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -51.77 66.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.151 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 143' ' ' ARG . 13.6 ttm180 -68.92 -38.56 79.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 16.6 mm -60.22 -47.53 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.041 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -62.97 -40.55 98.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 0.0 110.071 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -64.8 -48.1 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.909 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.99 98.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.263 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.38 69.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.648 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -76.0 -45.57 15.78 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.073 175.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.9 -52.25 38.52 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.942 0.097 . . . . 0.0 110.902 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 68.35 -68.34 0.17 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -134.31 150.77 50.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.935 0.398 . . . . 0.0 111.195 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 15.6 p -118.8 -173.42 2.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.673 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -109.21 146.65 33.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.58 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 54.5 p -94.07 147.69 22.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.004 0.43 . . . . 0.0 110.885 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 33.5 t -96.31 102.78 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.603 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 20.2 tp -85.77 111.84 20.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.736 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.22 -8.72 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.716 -174.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.4 -53.6 55.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.079 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 95.6 mt 61.21 15.45 6.38 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.869 173.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -61.31 -46.81 88.77 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -88.79 104.66 17.12 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.551 172.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -79.23 -15.08 58.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.352 -168.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -79.03 0.78 26.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.931 0.396 . . . . 0.0 111.317 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -82.38 -18.66 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 170.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -110.49 137.94 47.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.408 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 68.7 m80 . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.3 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tmm? . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.894 0.378 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' A' ' 112' ' ' PHE . . . -138.78 105.13 5.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 175.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.71 151.69 16.94 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.357 -176.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -109.49 90.57 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 126' ' ' THR . 27.1 m -81.29 116.51 21.19 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.777 -177.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -101.82 129.12 47.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.086 0.47 . . . . 0.0 110.819 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -123.28 97.05 5.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.807 170.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.855 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 40.7 mt-10 -91.51 113.24 25.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -178.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.4 tt -120.62 125.95 74.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.185 0.517 . . . . 0.0 110.341 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 90.9 m -85.48 117.98 24.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.757 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.436 HG22 ' H ' ' A' ' 13' ' ' ALA . 44.7 mt -102.69 131.69 50.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.22 18.65 2.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.036 0.446 . . . . 0.0 111.242 -174.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.436 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -103.85 146.0 31.7 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.881 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.9 147.08 94.11 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.92 2.414 . . . . 0.0 112.197 177.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.487 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 84.8 mtp -64.63 -25.77 68.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.558 -174.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -51.37 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.408 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.518 ' HG ' ' HA ' ' A' ' 148' ' ' ALA . 2.8 tm? -67.35 -46.19 74.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.764 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.4 HG22 HG21 ' A' ' 144' ' ' ILE . 63.4 t -57.28 -45.65 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.534 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -66.56 -47.37 73.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.915 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -70.78 -27.58 64.02 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.229 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 tpt -75.28 -36.12 61.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.99 0.424 . . . . 0.0 110.627 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.5 p -82.49 -28.69 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -78.02 -28.69 49.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.368 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.523 ' OD2' ' HG3' ' A' ' 27' ' ' LYS . 15.7 t70 -84.88 84.13 7.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.577 HD11 HG22 ' A' ' 40' ' ' VAL . 17.0 pt -71.97 -8.16 10.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.258 -170.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.88 -6.46 54.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.045 0.45 . . . . 0.0 110.647 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.523 ' HG3' ' OD2' ' A' ' 24' ' ' ASP . 63.9 mttp -96.64 -9.62 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.562 ' HB2' HG21 ' A' ' 38' ' ' VAL . 40.0 m0 -57.82 -45.92 99.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.4 Cg_endo -59.87 -10.03 11.17 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.112 1.875 . . . . 0.0 113.427 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.07 -8.33 41.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.35 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.31 -36.53 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.691 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.81 132.66 43.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.948 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -83.66 -25.31 30.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.911 -175.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.43 -30.27 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -103.37 118.4 36.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.743 0.306 . . . . 0.0 110.832 -173.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.78 -28.2 50.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.265 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.409 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 20.1 t -153.98 149.01 26.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.486 177.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 28' ' ' TRP . 94.8 t -124.75 99.87 6.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -100.12 117.68 34.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.499 -171.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.577 HG22 HD11 ' A' ' 25' ' ' ILE . 23.7 t -68.07 115.8 6.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.676 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.0 tp -79.43 -40.37 30.12 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.62 156.05 27.44 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.858 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -123.13 106.08 10.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 20.3 t70 -89.11 161.52 16.47 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 171.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.66 -42.9 17.12 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -127.42 7.69 6.43 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.516 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.771 ' HG2' HG22 ' A' ' 70' ' ' VAL . 59.8 mttp -132.95 110.47 10.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 110.966 -176.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.476 HG11 HH21 ' A' ' 69' ' ' ARG . 7.4 p -102.18 119.78 50.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.478 0.656 . . . . 0.0 110.54 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.4 m -100.3 120.28 39.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.007 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.41 ' HB3' HD12 ' A' ' 25' ' ' ILE . 33.1 p90 -126.07 157.32 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.296 0.57 . . . . 0.0 111.758 -177.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.625 ' HG2' ' HB2' ' A' ' 64' ' ' SER . 61.7 ttt180 -112.04 113.4 25.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.174 177.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.754 ' O ' ' HA ' ' A' ' 64' ' ' SER . 96.3 mt -81.24 104.9 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 95.5 m -101.51 128.61 47.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.42 -174.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.406 ' HB2' ' HB2' ' A' ' 63' ' ' TRP . 38.8 mtt -108.18 -171.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.513 . . . . 0.0 110.96 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -77.77 121.34 84.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.652 176.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.525 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 74.4 Cg_exo -50.52 141.22 34.04 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.032 2.488 . . . . 0.0 112.763 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -89.54 -173.34 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.044 0.449 . . . . 0.0 111.544 -173.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.78 72.04 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.346 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -73.98 -18.42 60.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 110.621 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.96 16.76 34.63 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.807 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 37.3 mtmm -87.61 142.36 27.9 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.823 0.312 . . . . 0.0 110.484 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.18 101.89 13.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 175.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.406 ' HB2' ' HB2' ' A' ' 54' ' ' MET . 11.3 m0 -70.1 93.08 0.78 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.297 0.57 . . . . 0.0 110.099 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.754 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 9.1 p -140.58 114.5 9.0 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.605 -175.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.3 p90 -113.08 153.41 28.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.216 0.532 . . . . 0.0 111.2 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.07 129.79 43.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.847 -176.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.1 m -134.94 133.42 39.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.149 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -102.05 128.53 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.803 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.476 HH21 HG11 ' A' ' 48' ' ' VAL . 58.0 ttp85 -122.03 120.29 33.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.962 0.41 . . . . 0.0 111.371 -174.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.771 HG22 ' HG2' ' A' ' 47' ' ' LYS . 29.7 t -104.74 127.1 59.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.566 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.79 104.85 14.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.715 0.293 . . . . 0.0 110.833 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -97.29 108.57 45.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.995 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.43 -15.4 19.83 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.957 2.438 . . . . 0.0 112.938 -176.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.5 t -77.7 -50.35 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.359 0.599 . . . . 0.0 109.959 -177.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.4 p -86.32 -6.77 58.88 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.859 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? 58.99 29.81 19.46 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.035 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.8 m -115.0 115.63 27.17 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.14 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.579 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 53.3 t -92.91 113.8 28.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.23 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -106.72 113.76 27.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.329 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.49 117.29 28.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.715 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -99.93 128.13 46.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.146 0.498 . . . . 0.0 110.246 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 -93.77 100.46 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.851 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.6 -45.44 74.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.239 0.543 . . . . 0.0 110.161 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -93.04 104.9 17.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.059 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.651 HG21 ' HB2' ' A' ' 88' ' ' PHE . 11.5 m -129.96 148.55 51.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.443 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.5 -102.52 0.87 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.256 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.51 -6.23 17.97 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.024 2.482 . . . . 0.0 113.644 -174.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.651 ' HB2' HG21 ' A' ' 85' ' ' THR . 72.4 m-85 -98.27 160.32 14.37 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -85.61 -46.11 11.1 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -154.99 144.91 21.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.675 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 85.2 mtp -132.72 123.68 26.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 110.701 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.762 ' HB3' ' HB3' ' A' ' 111' ' ' ASP . 40.6 t30 -108.79 115.73 30.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.716 178.293 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 43.7 mt -103.6 112.13 35.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.87 0.367 . . . . 0.0 110.667 -175.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 96' ' ' GLU . 77.1 t -115.44 118.93 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 -177.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.579 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 47.1 m0 -107.22 107.67 18.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 43.5 mt-10 -105.96 121.09 43.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.883 0.373 . . . . 0.0 110.923 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -100.43 116.96 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.515 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.64 130.49 54.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.926 0.393 . . . . 0.0 111.23 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.487 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 43.2 mt-10 -73.01 115.55 12.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.492 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.8 m -123.69 156.75 35.35 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.17 -7.59 53.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.922 0.391 . . . . 0.0 111.864 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.4 -4.9 14.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.258 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.7 -169.39 29.88 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.493 -0.861 . . . . 0.0 112.56 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.2 m -97.07 112.99 24.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 90.5 t -89.68 112.84 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.406 ' HB3' ' HE2' ' A' ' 106' ' ' MET . 44.1 ttp -97.43 120.43 37.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.208 0.528 . . . . 0.0 110.567 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.855 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 74.2 mtt180 -93.05 104.97 17.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.108 178.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -85.07 87.44 7.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.733 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 5' ' ' THR . 26.4 m -97.37 105.34 17.47 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.614 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -102.11 109.6 21.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.267 0.556 . . . . 0.0 110.286 177.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.762 ' HB3' ' HB3' ' A' ' 92' ' ' ASN . 11.6 t70 -89.23 112.82 23.95 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.04 177.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.591 ' HD2' ' HG3' ' A' ' 114' ' ' MET . 45.7 p90 -113.61 129.18 56.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.114 0.483 . . . . 0.0 111.321 -174.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -111.22 108.48 18.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.435 173.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.591 ' HG3' ' HD2' ' A' ' 112' ' ' PHE . 64.1 mtp -106.46 159.58 16.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.162 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.574 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 86.8 tttt -169.31 -57.79 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.431 0 CA-C-O 119.049 -0.5 . . . . 0.0 112.216 -175.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 67.0 Cg_exo -39.29 -76.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 123.33 2.687 . . . . 0.0 115.084 -170.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -153.12 68.55 0.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.198 0.523 . . . . 0.0 109.606 -174.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -107.01 108.37 61.91 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.817 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.09 -5.88 15.43 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.7 2.266 . . . . 0.0 111.306 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.46 HG12 ' HD1' ' A' ' 124' ' ' TRP . 27.3 m -87.46 139.84 16.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.259 177.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.53 160.35 19.0 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.75 -35.94 57.06 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.33 93.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.628 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TRP . . . . . 0.46 ' HD1' HG12 ' A' ' 120' ' ' VAL . 43.0 t-105 -74.27 -35.33 63.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.987 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.545 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 84.1 mmm -65.47 -54.37 29.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.629 176.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 5' ' ' THR . 88.6 m -57.15 -37.26 71.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.117 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.27 -53.94 45.1 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.809 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -65.91 -43.19 88.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.181 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.563 ' HB ' HG21 ' A' ' 5' ' ' THR . 75.8 mt -59.78 -52.09 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.638 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.66 -38.34 84.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.026 0.441 . . . . 0.0 110.722 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -66.5 -54.54 22.75 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.342 0.591 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -68.91 -44.38 73.25 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.186 -176.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.8 m -58.97 -39.95 83.29 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.128 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.27 -49.02 79.26 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.145 176.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.2 m -66.25 -44.77 82.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.307 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -67.45 -43.89 79.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.952 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.595 ' SD ' HD12 ' A' ' 140' ' ' ILE . 92.6 mmm -78.98 -13.57 59.71 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.038 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.86 -44.51 76.95 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.539 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 63.0 tp -55.7 -48.83 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.786 174.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.595 HD12 ' SD ' ' A' ' 137' ' ' MET . 55.2 mt -68.18 -37.56 78.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.334 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -53.59 -51.93 61.42 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.699 0.285 . . . . 0.0 110.892 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.37 -22.81 64.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.404 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 12.2 mmt180 -72.65 -43.13 63.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 140' ' ' ILE . 40.9 mm -60.98 -53.09 53.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.524 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -66.8 -24.86 66.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 150' ' ' GLU . 63.3 tt0 -70.47 -45.76 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.39 76.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.669 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.518 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -66.01 -38.11 87.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -72.74 -27.25 69.5 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.567 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 146' ' ' GLN . 4.3 tp10 -75.61 -46.55 31.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.359 0.6 . . . . 0.0 109.627 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.401 HH11 HD23 ' A' ' 17' ' ' LEU . 39.8 ttt-85 -111.7 91.02 3.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.482 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -102.43 114.52 28.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 23.6 m -68.65 92.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.218 0.532 . . . . 0.0 111.305 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -86.21 -19.88 29.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.331 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 14.3 p -79.29 94.14 5.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.918 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.67 143.28 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.178 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 85.0 mt -110.4 -44.56 3.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -89.38 83.08 6.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.12 0.486 . . . . 0.0 111.086 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.94 99.25 12.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 174.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 95.4 mt -126.54 163.08 24.19 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.516 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.87 -33.55 70.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.433 0.635 . . . . 0.0 109.332 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -104.14 101.17 10.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.443 -0.799 . . . . 0.0 108.931 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -70.75 -34.95 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 0.0 110.837 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -112.66 120.3 41.07 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -84.0 46.88 1.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.168 -170.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -132.64 8.98 4.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.598 0.713 . . . . 0.0 109.36 172.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 55.0 m170 . . . . . 0 C--O 1.244 0.786 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.093 176.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptp . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.69 129.76 44.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.833 0.349 . . . . 0.0 110.139 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.49 106.53 3.26 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.371 -176.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -106.52 90.35 3.31 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 HG23 ' A' ' 126' ' ' THR . 4.6 m -104.49 104.26 14.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.837 0.351 . . . . 0.0 110.962 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 33.1 t70 -106.46 102.61 11.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.107 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -108.13 111.18 23.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.226 0.536 . . . . 0.0 111.058 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.678 ' HG2' ' HD2' ' A' ' 107' ' ' ARG . 15.9 mt-10 -101.03 127.02 47.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.706 -175.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.417 HG21 ' HB3' ' A' ' 137' ' ' MET . 12.5 tt -131.28 125.84 57.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.414 0.626 . . . . 0.0 110.752 174.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 6.0 m -82.25 121.59 26.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.688 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.508 HG23 ' HG3' ' A' ' 141' ' ' ARG . 56.8 mt -104.08 127.4 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.416 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.53 70.28 10.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.232 0.539 . . . . 0.0 110.543 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.89 152.92 24.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.228 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.482 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.2 Cg_endo -64.19 141.24 75.06 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.819 2.346 . . . . 0.0 112.416 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 86.5 mtp -59.76 -26.48 65.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.139 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -46.29 -64.4 0.76 Allowed 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.896 0.747 . . . . 0.0 111.338 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.531 ' HA ' HG22 ' A' ' 20' ' ' THR . 29.9 tp -76.86 -34.76 57.8 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.863 -174.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG22 HG21 ' A' ' 144' ' ' ILE . 66.2 t -54.95 -55.47 15.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.742 0.306 . . . . 0.0 110.615 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.3 t-105 -64.66 -47.99 76.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.001 -176.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 17' ' ' LEU . 4.0 t -70.3 -24.48 63.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.864 -172.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.7 ttm -87.68 -41.57 13.27 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.275 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.6 p -67.48 -29.23 68.62 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.307 0.575 . . . . 0.0 110.62 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -78.96 -22.63 45.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.614 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.43 89.8 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.552 0.691 . . . . 0.0 109.457 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.655 ' HB ' HG11 ' A' ' 38' ' ' VAL . 24.7 pt -73.24 -16.08 17.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.303 -172.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.55 -17.78 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.61 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -114.95 13.86 17.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.039 0.447 . . . . 0.0 110.901 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 22.4 m0 -57.57 -48.1 97.83 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 33.7 Cg_endo -64.29 -1.07 3.34 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.192 1.928 . . . . 0.0 113.303 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -92.98 -24.25 23.18 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.668 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.28 -36.08 5.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.033 0.444 . . . . 0.0 110.632 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.626 ' HE1' ' HB3' ' A' ' 136' ' ' GLN . 3.8 t80 -106.9 130.07 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.162 -175.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 p -92.08 -1.21 57.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -170.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -90.34 -29.02 18.34 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -172.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -104.24 137.51 42.05 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.861 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.2 -44.76 11.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.379 -178.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -141.4 132.1 25.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.756 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.655 HG11 ' HB ' ' A' ' 25' ' ' ILE . 90.5 t -112.29 107.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 173.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -116.1 133.34 56.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.95 0.405 . . . . 0.0 111.695 -170.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.587 HG22 HD11 ' A' ' 25' ' ' ILE . 21.3 t -84.34 115.23 26.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 51' ' ' ARG . 77.7 mt -89.65 -38.05 14.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.002 0.429 . . . . 0.0 110.429 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.22 165.23 38.46 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -142.38 170.87 14.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 117.758 0.779 . . . . 0.0 110.718 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.76 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 15.0 m-20 -130.64 179.21 6.08 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 170.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.25 -34.58 68.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.754 0.311 . . . . 0.0 111.133 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -124.46 11.84 8.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.199 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.76 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -125.25 150.64 46.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.779 0.323 . . . . 0.0 111.269 -174.106 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.5 p -132.88 112.56 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.598 167.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.536 HG23 ' HG2' ' A' ' 68' ' ' GLU . 21.6 m -98.0 105.3 17.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.824 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -121.74 160.98 23.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.094 0.473 . . . . 0.0 111.39 -174.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.536 ' HB2' HD11 ' A' ' 41' ' ' LEU . 47.3 ttp180 -106.88 121.28 44.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.563 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.516 HD21 ' HZ3' ' A' ' 28' ' ' TRP . 27.4 mt -84.69 96.83 9.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.996 176.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.9 m -87.35 96.5 10.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.433 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.5 ttt -81.82 164.31 21.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.674 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 55.1 p-80 -53.1 128.71 48.69 Favored Pre-proline 0 N--CA 1.463 0.205 0 CA-C-O 120.931 0.396 . . . . 0.0 111.215 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.83 ' HB3' HG22 ' A' ' 62' ' ' VAL . 36.2 Cg_endo -65.43 134.24 37.86 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.989 2.459 . . . . 0.0 112.746 -177.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.17 165.67 23.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.578 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.39 -24.21 67.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.961 0.41 . . . . 0.0 110.72 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.02 -24.04 65.87 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.113 173.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.88 63.23 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -172.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -75.35 108.83 8.4 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.952 0.406 . . . . 0.0 110.164 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.83 HG22 ' HB3' ' A' ' 56' ' ' PRO . 15.4 t -90.75 110.62 22.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -74.55 96.26 2.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.308 0.575 . . . . 0.0 110.471 -174.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 6.6 m -119.51 111.73 18.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.703 -177.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 48.0 p90 -124.76 149.84 46.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.5 t -89.97 132.7 33.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.763 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -138.84 142.21 38.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.536 ' HG2' HG23 ' A' ' 49' ' ' THR . 42.3 mt-10 -107.84 131.7 54.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.805 0.336 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HD2' HG12 ' A' ' 78' ' ' VAL . 47.9 ttp180 -121.34 136.94 54.9 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.455 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 1.9 m -110.66 137.63 42.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.421 174.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.78 96.49 5.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.959 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.26 107.92 49.99 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.402 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.5 -21.33 46.58 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.889 2.393 . . . . 0.0 112.387 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.06 -55.22 20.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.7 p -89.52 -3.33 58.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.174 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 76' ' ' ARG . 64.6 mtt85 59.05 33.44 22.95 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.428 0.632 . . . . 0.0 110.043 -176.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.475 HG23 HG13 ' A' ' 94' ' ' VAL . 98.3 m -113.65 115.39 27.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.963 -177.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.486 HG12 ' HD2' ' A' ' 69' ' ' ARG . 23.7 t -111.16 94.21 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.284 175.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -108.26 138.39 44.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.025 0.44 . . . . 0.0 111.42 -173.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . . . -114.7 121.56 43.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.289 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -95.04 117.12 29.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.553 0.692 . . . . 0.0 110.31 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.632 ' HB3' ' HB2' ' A' ' 91' ' ' MET . 75.3 ttt180 -90.67 95.88 10.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.576 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.56 -46.22 49.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.55 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 32.4 mt-10 -86.66 102.75 14.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.738 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 88' ' ' PHE . 4.0 m -141.08 139.08 33.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 178.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.36 -72.9 1.24 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.986 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.437 ' HG2' ' CD1' ' A' ' 88' ' ' PHE . 58.0 Cg_endo -73.14 -4.13 14.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.636 2.224 . . . . 0.0 113.62 -176.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.685 ' HB2' HG21 ' A' ' 85' ' ' THR . 73.3 m-85 -120.55 155.02 34.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -84.4 -47.38 10.73 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 91.6 t80 -149.73 137.56 20.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.922 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.632 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 80.2 mtp -129.47 115.51 17.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.726 0.298 . . . . 0.0 110.628 177.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 30.6 t30 -110.09 106.35 15.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.013 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.534 HG23 ' HG2' ' A' ' 110' ' ' GLN . 53.5 mt -98.46 101.8 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.003 0.43 . . . . 0.0 110.295 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.594 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 85.0 t -93.75 116.81 35.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.198 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -95.03 94.65 8.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -97.26 130.55 44.45 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -103.71 118.3 36.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.052 0.453 . . . . 0.0 110.376 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.14 147.84 28.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.362 -176.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -77.99 135.84 37.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 103' ' ' GLY . 10.5 m -146.68 156.28 43.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 173.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.32 -11.54 57.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.347 -175.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -115.08 10.12 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.431 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.469 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 150.27 -169.37 30.26 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.001 -1.095 . . . . 0.0 112.834 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 m -107.71 120.04 41.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 70.0 t -86.09 116.2 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.965 0.412 . . . . 0.0 110.427 179.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 45.8 ttp -98.43 115.41 28.44 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.678 ' HD2' ' HG2' ' A' ' 8' ' ' GLU . 25.4 mtm180 -108.68 112.75 25.22 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.282 -173.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -89.46 89.91 8.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.009 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.594 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 4.0 m -87.99 92.85 9.29 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.644 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.534 ' HG2' HG23 ' A' ' 93' ' ' ILE . 54.5 mt-30 -90.1 98.22 11.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -98.53 104.31 16.33 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.003 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -127.27 148.05 50.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.517 0.675 . . . . 0.0 111.826 -173.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.92 127.05 53.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.991 177.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.439 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 68.4 mtp -109.38 141.17 42.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.097 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.502 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 14.0 mmmm -150.86 -48.87 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.53 -173.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.502 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 2.3 Cg_endo -43.89 164.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 122.86 2.373 . . . . 0.0 113.061 168.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -84.07 35.7 0.54 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.741 0.781 . . . . 0.0 110.775 -170.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.84 137.63 83.14 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.23 177.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.26 -43.23 36.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.107 2.538 . . . . 0.0 113.006 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.0 m -87.36 141.55 14.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.148 0.499 . . . . 0.0 110.784 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -89.27 175.8 7.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.831 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.46 -30.88 71.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.086 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.16 97.23 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.812 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -62.05 -42.19 98.92 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.198 0.523 . . . . 0.0 110.18 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.452 ' O ' HG13 ' A' ' 129' ' ' ILE . 86.8 mmm -65.71 -50.34 65.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.35 -177.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.498 HG23 HG23 ' A' ' 5' ' ' THR . 93.8 m -54.34 -41.68 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.73 -45.73 77.75 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.694 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -65.62 -39.84 91.91 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 125' ' ' MET . 85.2 mt -63.73 -39.57 85.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.5 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.366 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -58.68 -45.85 88.52 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.186 0.517 . . . . 0.0 110.57 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -67.37 -45.87 75.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.37 0.605 . . . . 0.0 110.554 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.14 -44.81 87.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.372 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 137' ' ' MET . 55.0 p -62.47 -52.68 62.54 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.725 -178.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -49.66 -44.41 47.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.666 0.269 . . . . 0.0 111.264 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 21.8 m -68.39 -55.05 13.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.625 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.626 ' HB3' ' HE1' ' A' ' 32' ' ' PHE . 82.7 mm-40 -70.56 -43.55 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.474 -174.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -63.94 -33.58 76.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.635 -178.879 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.25 91.95 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.702 0.287 . . . . 0.0 110.273 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.75 -48.99 79.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.642 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.439 ' O ' HG12 ' A' ' 144' ' ' ILE . 74.8 mt -65.66 -45.13 93.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.98 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.508 ' HG3' HG23 ' A' ' 11' ' ' ILE . 52.2 ttt180 -53.93 -48.52 70.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.421 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -56.26 -38.55 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.975 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 143' ' ' ARG . 8.9 mmt180 -69.41 -42.33 75.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.126 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.484 HG21 HG22 ' A' ' 18' ' ' VAL . 47.1 mm -59.34 -49.37 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.06 0.457 . . . . 0.0 110.477 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.94 -41.59 97.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.792 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -60.4 -50.81 72.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.419 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.99 88.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.39 94.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.466 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -75.28 -19.22 79.74 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.404 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -88.78 -15.92 33.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.71 0.291 . . . . 0.0 110.848 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -74.79 -66.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 60.53 -88.13 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.801 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 24.5 m -137.73 143.19 41.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.095 -175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.05 125.44 24.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 5.1 p -65.02 151.15 46.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.726 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.1 p -120.62 143.99 30.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.09 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 90.7 mt -107.48 150.77 26.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.858 0.361 . . . . 0.0 110.775 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -89.49 -177.37 5.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.672 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.63 166.86 20.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.157 0.503 . . . . 0.0 111.615 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 24.2 tp -150.23 151.75 33.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.445 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.28 152.95 44.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.439 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -81.98 -46.88 13.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -105.79 111.12 23.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.842 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -74.78 82.4 2.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.376 0.608 . . . . 0.0 111.336 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -163.7 66.72 0.17 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.788 -1.097 . . . . 0.0 108.062 171.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -168.83 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.299 -173.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.382 179.907 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.119 0.485 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.63 118.27 18.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.709 176.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.26 138.01 15.53 Favored Glycine 0 N--CA 1.442 -0.931 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -120.23 87.76 2.81 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.2 m -83.72 99.02 9.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.969 0.414 . . . . 0.0 110.185 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -94.97 95.5 8.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.445 -177.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -97.04 98.47 10.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.99 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.813 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 47.4 mt-10 -89.23 117.32 28.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.74 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 tt -125.27 132.22 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.067 0.461 . . . . 0.0 110.089 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.4 HG21 ' HG3' ' A' ' 102' ' ' GLU . 16.6 m -93.68 136.81 33.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.795 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 13' ' ' ALA . 55.7 mt -119.24 134.2 63.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.14 18.52 1.36 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.002 0.429 . . . . 0.0 112.0 -174.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -104.38 142.43 24.6 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.502 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.9 Cg_exo -58.96 141.76 98.59 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.779 2.319 . . . . 0.0 111.918 177.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.2 mtp -56.4 -28.53 59.61 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -173.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HG3' ' H ' ' A' ' 17' ' ' LEU . 8.6 pt-20 -55.34 -61.32 2.41 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.988 0.18 . . . . 0.0 111.416 -178.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.601 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 35.8 tp -66.26 -35.8 81.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.651 0.205 . . . . 0.0 110.994 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 14' ' ' PRO . 96.8 t -53.02 -59.08 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 121.374 -0.13 . . . . 0.0 110.965 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -63.05 -40.25 97.16 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.601 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 11.5 m -52.29 -34.36 46.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.945 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.4 mmm -89.8 -45.08 9.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.519 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.1 p -77.57 -21.54 52.32 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -64.68 -42.73 95.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 110.599 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.575 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 66.0 t0 -77.99 109.33 11.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.059 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.567 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 26.4 pt -74.74 -12.98 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.558 -175.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.68 -6.8 59.57 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.15 0.5 . . . . 0.0 110.309 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HD2' ' HB3' ' A' ' 24' ' ' ASP . 48.1 mttp -96.46 -11.82 25.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.554 176.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.572 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 43.2 m0 -57.58 -45.24 99.87 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -176.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 14.9 Cg_endo -57.75 -18.51 34.15 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.171 1.914 . . . . 0.0 113.082 178.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.15 -21.3 25.54 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.016 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 mp -95.46 -52.47 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.687 0.28 . . . . 0.0 110.934 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 34' ' ' GLU . 24.4 t80 -96.42 107.66 20.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.1 m -84.91 55.37 3.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.903 -172.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 33.3 tt0 -148.51 -11.99 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -102.17 126.37 49.12 Favored 'General case' 0 CA--C 1.52 -0.207 0 O-C-N 121.666 -0.646 . . . . 0.0 110.64 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.63 -44.87 18.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.704 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.562 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 49.7 m -130.75 131.57 44.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.304 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.0 t -111.98 99.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 170.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.621 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 34.5 mt-10 -94.25 110.91 22.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.915 -171.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 t -76.48 99.47 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.386 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -77.02 -43.35 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.33 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.81 -164.0 37.6 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.837 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.572 ' HB3' HG23 ' A' ' 48' ' ' VAL . 42.2 ptt85 -166.64 161.52 15.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.836 0.35 . . . . 0.0 110.636 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -130.98 90.9 2.96 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 61.01 -83.94 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.212 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -102.48 -25.18 13.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.028 0.442 . . . . 0.0 111.074 -175.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -96.06 112.17 23.98 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.423 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.572 HG23 ' HB3' ' A' ' 43' ' ' ARG . 11.1 p -99.48 145.4 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.276 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.5 m -122.33 119.48 31.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 26.8 p90 -133.62 166.6 22.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.641 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.621 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 50.7 ttt180 -119.81 117.98 29.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.639 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 64' ' ' SER . 94.9 mt -93.06 117.88 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.218 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 91.4 m -121.24 128.41 52.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.566 -175.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 46.7 mtt -105.46 -169.77 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.773 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -58.95 157.18 21.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.911 171.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' A' ' 62' ' ' VAL . 56.4 Cg_endo -71.64 159.83 49.93 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.306 2.004 . . . . 0.0 112.234 175.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -83.23 -171.79 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.72 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.56 -34.77 58.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.029 0.442 . . . . 0.0 110.681 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.17 -21.2 27.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.39 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.27 -3.48 6.74 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.361 -0.923 . . . . 0.0 113.659 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -63.03 110.26 1.75 Allowed 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 117.561 0.68 . . . . 0.0 110.43 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.55 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 7.1 p -80.71 118.89 29.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 173.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -76.16 89.62 3.08 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.764 0.793 . . . . 0.0 110.932 -171.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 25.3 t -123.8 139.64 53.78 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.061 -1.427 . . . . 0.0 109.661 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.492 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 14.2 p90 -148.46 133.27 17.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.233 0.54 . . . . 0.0 111.636 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.3 t -73.21 126.4 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.277 175.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.539 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 15.0 m -128.07 143.15 51.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.217 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -113.58 128.06 56.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.266 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.451 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 48.0 ttp180 -117.45 118.14 31.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.824 0.345 . . . . 0.0 111.523 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.78 109.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.44 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.17 110.38 20.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.672 0.272 . . . . 0.0 111.248 -176.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -103.97 108.19 59.16 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.854 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.78 -35.89 34.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 123.036 2.49 . . . . 0.0 112.974 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 t -72.88 -40.66 60.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.159 0.504 . . . . 0.0 110.796 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.1 m -82.38 -12.75 57.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.168 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 59.97 33.08 21.39 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.56 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.517 HG23 ' HG2' ' A' ' 96' ' ' GLU . 29.8 m -129.76 124.77 34.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.586 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.546 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 47.8 t -116.96 124.53 73.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -109.06 112.9 25.33 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.04 104.34 11.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.985 0.421 . . . . 0.0 110.918 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -102.32 142.14 34.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.399 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -106.1 105.21 15.14 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.237 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.8 t -57.1 -43.81 82.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.36 0.6 . . . . 0.0 109.587 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 39.2 mt-10 -91.64 97.39 11.0 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 170.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.757 HG22 ' HB2' ' A' ' 88' ' ' PHE . 4.4 m -86.8 -25.96 24.34 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -174.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.443 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 97.6 -127.59 9.27 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.102 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.443 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 3.0 Cg_exo -76.78 -8.93 18.22 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.197 2.598 . . . . 0.0 112.263 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.757 ' HB2' HG22 ' A' ' 85' ' ' THR . 46.1 m-85 -83.91 172.33 12.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.765 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' A' ' 113' ' ' ALA . 58.0 tt0 -92.54 -43.34 9.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.163 0.506 . . . . 0.0 109.988 178.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.63 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 39.0 t80 -159.43 148.32 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.58 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.459 ' HB3' HG23 ' A' ' 85' ' ' THR . 53.0 ttm -157.1 127.08 6.29 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.015 0.436 . . . . 0.0 111.5 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -132.92 117.56 17.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.489 175.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.553 HG12 ' HG3' ' A' ' 110' ' ' GLN . 19.6 mt -95.05 118.48 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.575 -175.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.542 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 43.1 t -103.63 118.89 51.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.747 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.546 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 40.5 m0 -99.17 101.64 13.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.517 ' HG2' HG23 ' A' ' 77' ' ' THR . 41.1 mt-10 -103.28 112.68 25.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.966 0.413 . . . . 0.0 110.47 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -90.45 118.68 30.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.435 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.423 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -108.17 108.98 20.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.39 104.54 2.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.5 m -122.11 162.05 21.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.906 -175.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.48 -21.61 63.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.235 0.541 . . . . 0.0 110.331 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.4 ' HG3' HG21 ' A' ' 10' ' ' THR . 9.0 tp10 -70.65 -18.46 62.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.794 175.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.52 -169.0 20.86 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -174.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.6 m -81.16 103.22 10.81 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -84.65 101.48 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.538 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.493 ' HB3' ' HE2' ' A' ' 106' ' ' MET . 36.5 ttp -92.98 115.47 28.15 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.26 0.552 . . . . 0.0 110.118 -179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.813 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 63.1 mtp85 -90.4 108.96 20.11 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.132 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -90.5 83.47 5.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.147 0.498 . . . . 0.0 109.835 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.542 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 10.2 m -85.8 94.74 9.21 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.82 179.007 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.553 ' HG3' HG12 ' A' ' 93' ' ' ILE . 31.4 tt0 -89.2 100.45 13.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.7 109.28 20.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.593 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.507 ' HD2' ' HG2' ' A' ' 114' ' ' MET . 50.6 p90 -126.51 145.72 50.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.16 0.505 . . . . 0.0 111.133 -175.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.63 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -113.19 133.32 55.11 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.507 ' HG2' ' HD2' ' A' ' 112' ' ' PHE . 96.7 mmm -127.95 104.94 8.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.859 0.361 . . . . 0.0 111.547 -176.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.574 ' NZ ' ' HB3' ' A' ' 115' ' ' LYS . 8.2 mtpm? -144.59 30.44 0.09 OUTLIER Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 175.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 115' ' ' LYS . 93.5 Cg_endo -83.91 17.0 1.78 Allowed 'Trans proline' 0 C--N 1.362 1.251 0 CA-C-N 121.145 1.445 . . . . 0.0 110.224 168.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.17 37.43 11.34 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.254 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.474 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -72.02 135.83 82.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.161 178.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 10.6 Cg_exo -72.93 48.66 1.44 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.674 2.916 . . . . 0.0 113.1 -177.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.9 m -115.65 139.99 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.762 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -80.21 11.69 3.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 69.42 -50.26 0.61 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.772 0.829 . . . . 0.0 110.442 -173.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.02 70.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -63.04 -37.06 85.67 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 121.156 0.503 . . . . 0.0 110.133 176.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 92.4 mmm -71.7 -46.99 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.978 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 41.9 m -56.4 -41.71 76.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 7.1 t70 -58.89 -55.22 37.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.718 176.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -64.81 -44.75 88.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.625 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.96 -40.6 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.679 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.57 -55.54 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.621 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 33.9 mtt180 -61.41 -42.71 99.16 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 -178.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -63.39 -52.32 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.735 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 137' ' ' MET . 21.6 m -63.58 -42.97 98.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -55.16 -47.5 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.326 . . . . 0.0 110.478 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 26.0 m -67.04 -54.8 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.193 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -61.08 -43.6 98.64 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.474 ' SD ' HD12 ' A' ' 140' ' ' ILE . 82.9 mmm -75.52 -15.75 60.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.988 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.5 62.71 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 172.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.45 -40.09 81.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.617 173.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.474 HD12 ' SD ' ' A' ' 137' ' ' MET . 42.8 mt -70.66 -44.78 76.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.53 176.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -51.44 -49.89 60.8 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 122.9 0.125 . . . . 0.0 110.822 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -53.3 -55.04 27.91 Favored 'General case' 0 CA--C 1.52 -0.21 0 O-C-N 123.418 0.449 . . . . 0.0 111.286 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 143' ' ' ARG . 50.0 mtm-85 -71.38 -31.21 67.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.068 -175.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.8 mm -68.13 -49.07 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.013 0.435 . . . . 0.0 110.133 175.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.55 -43.73 98.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.176 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -64.14 -43.86 93.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.16 93.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.011 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.413 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -65.98 -36.86 84.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.74 83.94 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.233 -0.508 . . . . 0.0 112.469 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -70.57 -21.14 62.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 0.0 110.352 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -83.72 -53.03 5.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.194 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 152' ' ' ARG . 31.0 mtp-105 -104.55 71.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 110.185 175.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 31.8 m -79.53 106.14 11.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.053 0.454 . . . . 0.0 110.627 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -94.81 92.09 6.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.89 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 19.5 m -80.77 -15.59 56.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.24 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 18.9 m -130.62 175.68 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.216 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 94.8 mt -88.17 5.6 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.162 0.506 . . . . 0.0 111.106 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -104.61 139.51 39.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.31 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -69.57 133.47 47.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.901 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.6 mt -83.6 -23.93 31.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.33 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.65 120.2 24.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.734 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -84.59 5.19 28.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.223 0.535 . . . . 0.0 110.878 -175.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.78 101.14 6.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 168.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -77.15 15.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.948 -168.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -137.36 123.39 20.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -76.75 -34.1 58.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.713 -0.661 . . . . 0.0 109.518 174.877 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mmm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -114.82 110.6 19.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.881 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.76 166.2 13.55 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.089 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -126.12 101.3 6.71 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.872 0.368 . . . . 0.0 110.844 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.485 HG23 HG23 ' A' ' 126' ' ' THR . 28.2 m -86.99 109.52 19.44 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 175.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.81 96.07 5.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.164 0.507 . . . . 0.0 110.19 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.544 ' ND2' ' HB2' ' A' ' 108' ' ' TRP . 1.2 p-10 -107.19 103.28 12.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.566 0.698 . . . . 0.0 110.435 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.993 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 38.1 mt-10 -88.17 130.35 35.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.801 -177.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 137' ' ' MET . 50.0 mm -122.02 112.78 36.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.183 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 20.4 m -80.77 106.65 12.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.644 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.466 HG12 ' HG2' ' A' ' 141' ' ' ARG . 58.7 mt -94.35 133.37 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.974 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.25 26.8 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.968 0.413 . . . . 0.0 111.821 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.91 143.4 36.67 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.855 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HG2' HD13 ' A' ' 17' ' ' LEU . 29.4 Cg_endo -63.89 152.48 80.56 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' A' ' 99' ' ' GLU . 75.0 mtp -59.92 -32.81 71.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.094 -173.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -63.23 -47.25 83.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.01 0.433 . . . . 0.0 110.63 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.785 HD23 ' HB1' ' A' ' 148' ' ' ALA . 9.9 mp -72.44 -34.09 67.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.552 -178.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.501 ' HA ' HD11 ' A' ' 144' ' ' ILE . 91.5 t -63.76 -47.47 90.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.051 174.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.465 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 15.6 t-105 -59.02 -54.43 47.19 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.803 -178.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.8 t -65.17 -26.87 68.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.63 0.234 . . . . 0.0 111.63 -175.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 75.4 mmm -82.99 -39.31 21.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 p -88.99 -7.24 56.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.845 0.355 . . . . 0.0 111.418 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.651 ' HA ' HH12 ' A' ' 69' ' ' ARG . 62.6 t30 -72.91 -28.8 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.545 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.679 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 11.6 m-20 -81.79 104.3 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.497 HD12 HG12 ' A' ' 38' ' ' VAL . 34.6 pt -70.04 -18.28 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.168 0.509 . . . . 0.0 110.899 -176.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.66 -5.17 38.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.645 177.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.679 ' HD2' ' HB2' ' A' ' 24' ' ' ASP . 91.3 mttt -100.8 -11.79 19.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.108 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.54 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 45.3 m0 -59.87 -50.69 85.34 Favored Pre-proline 0 C--O 1.224 -0.278 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.864 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 16.0 Cg_endo -57.83 -17.12 28.48 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.251 1.967 . . . . 0.0 113.042 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.72 -36.9 21.42 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.966 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.451 HD23 HG23 ' A' ' 140' ' ' ILE . 9.3 mp -93.62 -20.65 19.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.625 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' CE1' HD11 ' A' ' 140' ' ' ILE . 4.4 m-85 -97.81 147.55 24.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.531 0.682 . . . . 0.0 112.332 -177.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.9 m -101.56 -28.82 12.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.779 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.24 -52.37 8.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.011 0.434 . . . . 0.0 111.293 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -82.97 108.32 16.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.652 -174.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.91 59.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.928 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.529 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 49.8 m -149.76 136.83 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.193 0.521 . . . . 0.0 110.83 178.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.497 HG12 HD12 ' A' ' 25' ' ' ILE . 90.2 t -128.68 102.11 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.977 178.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -120.28 156.04 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.474 -0.491 . . . . 0.0 112.219 -173.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' CG2' HD11 ' A' ' 25' ' ' ILE . 41.0 t -90.4 116.01 30.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.595 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.487 HD11 ' HD2' ' A' ' 51' ' ' ARG . 83.8 mt -81.04 -38.93 26.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.55 157.14 29.49 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -144.68 137.13 26.38 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 118.241 1.021 . . . . 0.0 110.923 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -115.67 51.2 0.95 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 61.23 -79.51 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.339 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -65.45 -37.74 87.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.043 0.449 . . . . 0.0 109.868 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -115.58 115.12 25.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.822 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 69' ' ' ARG . 5.9 p -99.64 119.14 47.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.155 0.502 . . . . 0.0 110.151 175.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -86.31 96.51 9.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.882 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 69' ' ' ARG . 34.1 p90 -107.38 154.77 20.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.75 -174.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HD2' HD11 ' A' ' 41' ' ' LEU . 70.2 ttt180 -112.26 118.94 36.68 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.878 178.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.743 ' O ' ' HA ' ' A' ' 64' ' ' SER . 80.7 mt -84.57 111.48 19.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.027 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.529 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 25.5 m -101.2 114.76 29.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.97 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.4 ' HB3' ' H ' ' A' ' 55' ' ' HIS . 44.9 mtt -96.19 -157.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.657 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.4 ' H ' ' HB3' ' A' ' 54' ' ' MET . 76.8 t60 -89.86 139.15 27.58 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.219 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.795 ' HG3' HG22 ' A' ' 62' ' ' VAL . 76.2 Cg_exo -51.55 125.38 16.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.22 2.613 . . . . 0.0 112.236 174.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -79.44 169.97 17.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.697 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -13.93 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.735 0.302 . . . . 0.0 111.442 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.63 -15.53 62.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.403 0.621 . . . . 0.0 110.003 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.28 27.15 31.38 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.257 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -130.81 138.72 50.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.795 HG22 ' HG3' ' A' ' 56' ' ' PRO . 21.7 t -82.8 123.64 38.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.881 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -72.96 94.24 1.83 Allowed 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.393 0.615 . . . . 0.0 109.773 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.743 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 5.8 p -133.28 103.6 6.06 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.171 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -111.35 162.11 15.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.072 0.463 . . . . 0.0 111.502 -175.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.8 t -96.18 130.32 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.837 -176.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 m -138.83 154.76 48.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.115 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -109.24 126.26 53.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.569 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.651 HH12 ' HA ' ' A' ' 23' ' ' ASN . 23.7 ttp180 -108.37 110.36 21.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.942 0.401 . . . . 0.0 110.493 177.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 t -97.85 106.27 18.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.722 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.03 105.44 17.58 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.158 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 21.4 t70 -110.85 112.18 56.09 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.944 0.402 . . . . 0.0 111.116 -178.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 12.2 Cg_exo -70.77 -21.35 28.92 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.164 2.576 . . . . 0.0 112.373 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.6 -54.19 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.773 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 m -74.6 -15.17 60.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.039 0.447 . . . . 0.0 110.084 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 62.12 43.73 8.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.073 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.413 HG23 ' HA ' ' A' ' 96' ' ' GLU . 92.7 m -150.03 139.63 21.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.698 -174.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 63.9 t -107.37 131.52 57.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.096 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -110.96 116.87 31.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.702 0.287 . . . . 0.0 110.751 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -111.93 95.15 5.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.054 0.455 . . . . 0.0 110.444 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -98.85 130.25 45.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.155 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -93.0 110.18 21.64 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.102 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.32 -46.45 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -84.39 109.33 17.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.946 174.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.9 p -95.02 -55.24 3.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.872 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.434 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 99.6 -114.01 4.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.009 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.434 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 7.4 Cg_exo -74.25 -6.77 18.89 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.025 2.483 . . . . 0.0 112.326 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -106.36 170.23 8.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.632 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -97.26 -40.31 8.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.077 0.465 . . . . 0.0 109.954 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -150.02 144.42 25.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.865 -177.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.3 ttm -153.11 110.58 3.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 110.532 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -117.33 108.83 16.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.471 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.531 HG23 ' HG2' ' A' ' 110' ' ' GLN . 35.6 mt -92.11 108.03 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.909 0.385 . . . . 0.0 110.274 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.7 t -93.94 111.73 25.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.513 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 20.9 m0 -86.24 83.32 7.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.655 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 33.1 tt0 -90.11 111.2 22.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.476 -174.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.418 ' HE2' HG23 ' A' ' 78' ' ' VAL . 92.8 m-85 -91.28 122.29 33.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.958 0.408 . . . . 0.0 110.772 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.563 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.9 113.88 27.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.464 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 41.6 tt0 -77.94 101.56 6.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.539 -177.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.8 m -114.31 158.45 21.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.483 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.75 -7.83 56.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.265 0.555 . . . . 0.0 110.581 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -91.24 -4.17 56.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.049 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.46 -179.69 16.57 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.686 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 56.4 m -81.45 106.87 13.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -80.18 97.5 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 40.9 ttp -86.07 110.93 19.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.429 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.993 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 91.2 mtt180 -90.07 112.59 24.08 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.095 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.544 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 5.3 m95 -92.05 84.92 5.37 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 170.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.1 m -88.12 98.27 11.45 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.695 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.531 ' HG2' HG23 ' A' ' 93' ' ' ILE . 75.5 mt-30 -88.95 104.78 17.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.124 0.487 . . . . 0.0 110.349 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -83.16 101.53 11.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.864 176.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -119.6 145.25 46.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.26 0.552 . . . . 0.0 111.088 -175.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -130.69 121.02 24.75 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.886 176.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 39.9 ttm -100.88 145.45 28.58 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.9 ' HA ' ' HE3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -131.58 -55.19 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.969 -175.024 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.569 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 9.3 Cg_endo -55.14 -18.37 17.52 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.094 1.863 . . . . 0.0 113.511 174.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 68.05 78.29 0.23 Allowed 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.363 0.601 . . . . 0.0 111.328 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.54 167.59 29.11 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.651 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -68.22 1.25 3.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.617 2.211 . . . . 0.0 112.929 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 28.0 m -109.09 121.03 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.23 0.538 . . . . 0.0 110.361 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.85 176.02 8.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.629 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.78 -47.92 64.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.624 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.23 84.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.543 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -65.88 -49.37 68.31 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 68.1 mtp -59.68 -52.48 65.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.098 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.485 HG23 HG23 ' A' ' 5' ' ' THR . 95.2 m -56.71 -44.47 81.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.479 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.11 -44.0 81.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.916 0.389 . . . . 0.0 110.507 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.95 -46.71 77.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.801 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.45 HD13 ' OE1' ' A' ' 110' ' ' GLN . 96.2 mt -64.22 -40.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.988 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -57.2 -47.84 80.26 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.019 0.438 . . . . 0.0 110.339 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -58.19 -49.07 78.33 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.132 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -62.18 -48.11 81.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.976 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.7 t -64.99 -36.63 85.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.825 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 134' ' ' ARG . 30.2 ttt85 -56.29 -49.91 72.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.972 0.415 . . . . 0.0 110.661 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.2 m -71.78 -47.35 54.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -64.09 -46.06 85.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.823 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.521 ' HB3' HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -78.34 -21.96 48.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.534 -175.734 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.86 98.08 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 143' ' ' ARG . 49.6 tp -57.46 -47.51 81.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.92 174.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.462 HD11 ' CE1' ' A' ' 32' ' ' PHE . 74.0 mt -56.65 -46.17 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.908 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.466 ' HG2' HG12 ' A' ' 11' ' ' ILE . 38.1 mtm105 -49.71 -63.13 1.2 Allowed 'General case' 0 CA--C 1.519 -0.232 0 O-C-N 123.382 0.426 . . . . 0.0 111.795 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.36 -32.88 74.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.838 -174.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 139' ' ' LEU . 17.0 mtp180 -72.33 -45.46 59.84 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.252 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.501 HD11 ' HA ' ' A' ' 18' ' ' VAL . 14.3 tt -72.02 -27.38 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.078 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.2 -42.88 83.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.34 -46.53 79.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.887 175.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.68 83.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.422 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.785 ' HB1' HD23 ' A' ' 17' ' ' LEU . . . -75.03 -35.45 61.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.779 178.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -63.15 -47.1 91.14 Favored Glycine 0 C--N 1.331 0.285 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.43 ' OE1' ' HD3' ' A' ' 152' ' ' ARG . 90.4 mt-10 -64.15 -35.16 79.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.157 0.503 . . . . 0.0 109.681 173.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 151' ' ' ARG . 4.9 ttm180 62.22 47.59 5.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.816 179.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ARG . . . . . 0.43 ' HD3' ' OE1' ' A' ' 150' ' ' GLU . 44.2 mmm-85 -60.31 100.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.371 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 5.7 m -86.99 -36.49 18.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.204 0.526 . . . . 0.0 109.86 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -75.99 101.5 5.26 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.743 175.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 56.1 m -75.85 83.5 2.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.926 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 4.7 p -108.65 107.97 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.559 0.695 . . . . 0.0 109.746 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 92.7 mt -79.89 -12.5 59.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.953 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -93.49 -7.67 43.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.001 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 53.17 84.99 0.05 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.77 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 40.0 tp -81.13 -11.89 59.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.772 0.796 . . . . 0.0 109.298 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.24 155.03 32.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.307 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -114.08 95.2 5.18 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 173.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -81.86 103.53 11.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.498 -175.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -80.49 116.38 20.5 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -73.41 15.73 0.23 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -166.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 62.41 37.23 13.78 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.778 0.323 . . . . 0.0 111.527 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.272 -0.871 . . . . 0.0 109.696 177.413 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.562 ' HG3' ' HG3' ' A' ' 115' ' ' LYS . 4.5 mpp? . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.734 0.302 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.31 110.83 4.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.318 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.15 163.22 12.6 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.02 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -125.87 132.85 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.576 ' HB ' ' HB2' ' A' ' 110' ' ' GLN . 7.1 m -136.46 155.52 49.88 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -139.44 107.71 5.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.551 0.691 . . . . 0.0 110.229 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.86 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 15.9 m120 -97.52 91.61 5.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.813 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.479 ' HG2' ' CB ' ' A' ' 107' ' ' ARG . 9.0 mt-10 -95.21 125.09 39.61 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.08 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.855 HG13 ' HB3' ' A' ' 137' ' ' MET . 28.4 mm -121.18 122.15 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.29 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -78.57 103.85 8.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.195 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.555 HG12 ' HG3' ' A' ' 141' ' ' ARG . 40.1 mt -97.94 124.42 50.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 110.77 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.73 55.12 3.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.235 0.54 . . . . 0.0 110.67 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.49 148.07 54.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.895 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 148' ' ' ALA . 52.7 Cg_exo -56.07 135.89 72.15 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.146 2.564 . . . . 0.0 112.274 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.48 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 84.9 mtp -57.49 -40.87 79.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.05 -174.001 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.81 -42.61 97.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' HA ' HG22 ' A' ' 20' ' ' THR . 25.2 tp -72.77 -40.56 65.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.7 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -58.23 -42.38 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.243 0.545 . . . . 0.0 110.297 174.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -65.46 -48.28 73.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.94 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.491 HG22 ' HA ' ' A' ' 17' ' ' LEU . 14.3 t -70.97 -31.73 68.38 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.476 -176.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.2 mtp -76.06 -24.41 55.13 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.169 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 p -85.87 -20.29 29.3 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.451 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -79.42 -28.55 41.76 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 170.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.52 61.56 0.7 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.868 170.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.589 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 12.1 pt -59.88 -24.15 28.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.039 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.3 -15.64 60.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.912 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -95.21 -1.22 52.12 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.385 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.589 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 43.4 m0 -58.0 -42.8 97.05 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.4 Cg_endo -61.67 -14.69 37.37 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.047 1.832 . . . . 0.0 112.766 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.02 -12.16 62.3 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.529 HD23 HG23 ' A' ' 140' ' ' ILE . 11.0 mp -96.81 -55.49 2.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CE2' HD13 ' A' ' 139' ' ' LEU . 14.2 t80 -114.49 148.39 37.93 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 p -98.97 20.57 13.03 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -167.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -102.92 -30.26 10.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.958 0.408 . . . . 0.0 111.107 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -74.84 138.64 42.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.237 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.36 -76.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.044 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 m -130.06 109.44 10.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 0.0 110.983 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.65 HG22 ' HG ' ' A' ' 52' ' ' LEU . 43.4 t -88.26 106.31 16.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -93.86 112.05 23.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.054 0.454 . . . . 0.0 110.975 -173.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.446 HG22 HD11 ' A' ' 25' ' ' ILE . 46.7 t -77.45 112.83 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.729 176.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.499 HD12 HG22 ' A' ' 49' ' ' THR . 84.5 mt -85.75 -19.27 31.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.153 0.501 . . . . 0.0 110.297 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.36 164.79 10.44 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.445 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 36.6 ptt85 -122.91 109.45 14.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.264 0.554 . . . . 0.0 110.457 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -89.31 86.48 6.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.482 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.69 -85.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.526 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -102.39 -27.61 12.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.335 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.837 ' HG2' HG22 ' A' ' 70' ' ' VAL . 99.5 mttt -88.84 100.51 13.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.593 0.235 . . . . 0.0 111.015 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.557 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 7.0 p -88.69 114.13 26.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.456 0.646 . . . . 0.0 109.351 173.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.499 HG22 HD12 ' A' ' 41' ' ' LEU . 15.8 m -90.56 124.11 34.76 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.278 -176.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.401 ' HB3' HD12 ' A' ' 25' ' ' ILE . 37.8 p90 -133.05 135.89 45.63 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.482 0.658 . . . . 0.0 111.253 178.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 65' ' ' TRP . 41.1 ttt180 -105.27 103.5 13.05 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.638 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.65 ' HG ' HG22 ' A' ' 38' ' ' VAL . 5.0 tt -83.1 110.64 18.18 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.0 m -77.23 118.63 19.92 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.432 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 71.5 mtp -82.73 152.76 25.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.319 -175.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -60.64 145.32 87.86 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.905 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -44.2 123.03 4.03 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.495 2.797 . . . . 0.0 113.175 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.08 157.88 14.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.438 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.78 -30.05 63.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.202 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.82 -29.13 55.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.912 0.387 . . . . 0.0 110.818 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.63 -24.52 4.61 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.297 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.56 148.14 43.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 111.326 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.4 t -105.96 119.74 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -100.64 -175.25 2.85 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.783 0.801 . . . . 0.0 111.491 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.6 m -166.84 173.78 9.15 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.894 -1.503 . . . . 0.0 108.698 -176.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.565 ' CZ2' HD13 ' A' ' 52' ' ' LEU . 8.9 p90 -150.24 142.6 24.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.295 167.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' H ' ' HB3' ' A' ' 84' ' ' GLU . 48.1 t -99.35 117.06 43.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.084 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 p -138.74 149.29 44.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.723 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -114.08 128.28 56.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.242 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HB3' HG13 ' A' ' 48' ' ' VAL . 14.5 ttt180 -101.81 108.77 20.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.637 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.837 HG22 ' HG2' ' A' ' 47' ' ' LYS . 25.9 t -91.77 105.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.569 176.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.404 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -95.69 105.76 17.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.443 -176.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.9 99.89 18.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.388 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 22.0 Cg_exo -65.08 -43.37 11.68 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 123.06 2.507 . . . . 0.0 112.645 -175.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.36 -39.82 85.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.124 0.488 . . . . 0.0 110.481 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 m -79.69 -12.8 59.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.239 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? 60.98 27.32 17.21 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 110.717 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.0 m -128.48 115.19 17.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.989 0.423 . . . . 0.0 111.164 -173.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.604 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 70.3 t -98.74 111.58 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 175.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -93.42 102.65 14.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.996 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.28 99.83 11.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.298 0.57 . . . . 0.0 109.746 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -92.53 116.46 29.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.594 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.586 ' HB3' ' HB2' ' A' ' 91' ' ' MET . 0.7 OUTLIER -83.72 98.72 9.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.665 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.08 -47.12 82.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.31 0.576 . . . . 0.0 110.268 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' HB3' ' H ' ' A' ' 66' ' ' VAL . 42.0 tt0 -88.26 97.96 11.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.631 177.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.464 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 5.5 p -91.27 -62.95 1.33 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.899 -176.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.99 -108.33 3.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.739 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.17 -13.92 37.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.909 2.406 . . . . 0.0 111.678 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.464 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 58.5 m-85 -97.67 158.23 15.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.491 178.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -91.19 -58.53 2.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.194 0.521 . . . . 0.0 109.886 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.485 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 68.1 t80 -143.71 126.73 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.769 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.586 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 95.4 mmm -112.89 104.0 11.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.512 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.754 ' HB3' ' HB2' ' A' ' 111' ' ' ASP . 28.7 t-20 -100.03 96.76 7.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.558 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.5 mt -101.32 102.26 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.226 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.562 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 65.7 t -98.59 111.68 28.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.008 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.604 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 19.1 m0 -89.11 91.84 8.96 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 173.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -92.1 125.21 36.69 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -97.57 115.74 28.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.78 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.442 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.08 112.28 25.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.161 0.505 . . . . 0.0 111.017 -177.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.48 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 41.9 mt-10 -66.86 104.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.722 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 m -128.68 158.55 38.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.242 -174.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.52 -41.6 69.88 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -176.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.53 -21.27 60.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.331 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.81 -169.26 29.96 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.239 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 m -80.85 100.87 9.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.99 0.424 . . . . 0.0 110.008 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.442 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 60.1 t -82.3 100.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.031 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 52.6 ttp -93.21 115.17 27.79 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.479 ' CB ' ' HG2' ' A' ' 8' ' ' GLU . 31.4 ptt180 -114.56 129.07 56.63 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.781 0.8 . . . . 0.0 112.061 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.86 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 11.5 m0 -81.48 88.71 6.14 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.132 -1.395 . . . . 0.0 110.138 177.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.562 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 63.5 m -76.64 108.28 9.53 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.751 175.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.585 ' HG3' HG21 ' A' ' 129' ' ' ILE . 14.2 mm100 -98.38 108.26 20.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.947 -175.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.754 ' HB2' ' HB3' ' A' ' 92' ' ' ASN . 32.1 m-20 -106.53 93.46 4.6 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 171.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -108.8 130.11 55.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.351 0.596 . . . . 0.0 111.611 -172.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -113.2 116.8 30.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.48 174.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.4 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 23.0 ptm -159.32 151.25 20.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.159 -177.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.562 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 6.5 tmtt? -175.54 -54.66 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 O-C-N 123.309 0.381 . . . . 0.0 110.955 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 3.9 Cg_endo -45.87 111.72 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 122.976 2.451 . . . . 0.0 113.464 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.19 -16.75 0.5 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.114 174.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -86.73 120.38 71.77 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.751 0.31 . . . . 0.0 110.801 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 18.5 Cg_endo -87.65 77.58 1.76 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.813 2.342 . . . . 0.0 111.862 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.31 149.68 33.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.643 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -108.88 24.34 13.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 71.32 -56.99 0.62 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.751 -174.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.45 -41.91 66.62 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.522 0.514 . . . . 0.0 111.201 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -52.0 -56.62 13.16 Favored 'General case' 0 C--O 1.228 -0.066 0 O-C-N 123.615 0.572 . . . . 0.0 110.745 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.44 ' O ' HG13 ' A' ' 129' ' ' ILE . 95.7 mmm -65.88 -42.09 90.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 -177.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 62.1 m -54.15 -52.73 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.324 0.39 . . . . 0.0 111.483 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.507 ' HA ' ' ND2' ' A' ' 130' ' ' ASN . 24.4 t70 -82.01 -26.66 33.65 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.008 -175.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -63.16 -42.96 99.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.585 HG21 ' HG3' ' A' ' 110' ' ' GLN . 74.4 mt -60.16 -41.12 85.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.193 175.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.514 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 95.4 m-20 -52.6 -54.38 33.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.802 0.334 . . . . 0.0 110.427 176.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -60.07 -50.05 75.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.479 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.91 -48.76 73.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.325 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.4 t -66.64 -42.24 87.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.247 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.514 ' NH1' ' HB3' ' A' ' 130' ' ' ASN . 47.6 mtm-85 -61.38 -40.58 94.86 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.473 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 58.4 m -59.47 -49.47 77.65 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 120.9 0.381 . . . . 0.0 110.327 177.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -60.31 -57.59 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.89 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.855 ' HB3' HG13 ' A' ' 9' ' ' ILE . 31.0 mmt -63.01 -37.33 86.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.513 -173.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.87 86.69 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.486 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.49 HD13 ' CE2' ' A' ' 32' ' ' PHE . 8.2 tt -67.48 -46.28 73.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.099 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.529 HG23 HD23 ' A' ' 31' ' ' LEU . 66.5 mt -65.74 -38.21 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.293 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.555 ' HG3' HG12 ' A' ' 11' ' ' ILE . 13.3 ttp180 -54.93 -50.35 69.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.223 175.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.94 -35.38 73.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.106 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -69.99 -43.62 71.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.607 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 31.2 mm -62.52 -52.42 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.753 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.83 -35.14 78.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -62.64 -49.56 74.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.086 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.36 92.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.916 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 14' ' ' PRO . . . -69.63 -15.58 63.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -93.62 -41.13 4.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.432 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 152' ' ' ARG . 56.0 mt-10 -77.67 3.03 14.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.672 -0.264 . . . . 0.0 111.277 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -58.02 133.44 55.53 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 150' ' ' GLU . 74.0 mtt180 -120.65 154.28 35.72 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.592 -174.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 3.3 p -80.02 36.7 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.51 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -74.69 117.5 16.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.539 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 7.0 p -74.26 142.88 45.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.804 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 41.9 t -67.41 -28.96 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.93 -10.48 59.53 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.96 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . 71.46 148.24 0.08 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 124.234 0.959 . . . . 0.0 112.023 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -103.54 -50.46 3.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.956 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 63.5 tp -58.5 -72.13 0.1 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.137 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -91.75 -179.67 5.39 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 170.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -132.12 158.0 42.78 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.951 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -64.09 -28.58 69.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.905 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -113.5 128.58 56.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 170.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -71.23 -24.94 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.996 -173.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -126.23 132.86 51.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.94 0.4 . . . . 0.0 110.702 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 23.9 p80 . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.312 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 C--O 1.236 0.393 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.54 128.35 6.92 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.249 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -100.52 99.22 9.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.983 0.421 . . . . 0.0 110.464 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m -96.6 116.67 29.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.12 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -116.72 87.85 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.849 0.357 . . . . 0.0 110.309 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.554 ' OD1' ' HA ' ' A' ' 130' ' ' ASN . 2.1 m120 -98.85 115.54 29.06 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.475 0.655 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 22.5 mt-10 -113.16 140.24 48.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.087 -175.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.463 HD11 ' HD3' ' A' ' 141' ' ' ARG . 17.5 tt -143.56 139.86 26.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.846 0.355 . . . . 0.0 110.673 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 m -86.99 132.51 33.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.379 -175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.493 HG12 ' HG3' ' A' ' 141' ' ' ARG . 20.2 mt -124.23 141.09 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.49 21.74 5.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.929 0.395 . . . . 0.0 111.252 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -95.17 140.99 22.64 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 22.5 Cg_exo -64.48 148.16 90.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.954 2.436 . . . . 0.0 112.171 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 79.1 mmm -49.3 -41.84 39.5 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.053 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -54.03 -53.9 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.46 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.581 ' HA ' HG22 ' A' ' 20' ' ' THR . 6.1 tp -73.1 -37.18 66.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.431 -174.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.528 ' HA ' HD11 ' A' ' 144' ' ' ILE . 96.8 t -57.03 -48.0 82.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.003 0.43 . . . . 0.0 110.703 175.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -66.38 -53.43 36.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.624 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 17' ' ' LEU . 11.6 t -65.49 -34.28 77.91 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.5 tpp -69.28 -43.77 73.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.85 0.357 . . . . 0.0 110.703 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.8 p -74.39 -19.32 60.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.463 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -81.97 -23.43 36.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.818 0.342 . . . . 0.0 110.608 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -85.52 81.75 8.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.352 0.596 . . . . 0.0 109.4 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.625 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 29.8 pt -68.69 -14.5 18.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.893 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.9 -16.15 61.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.253 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -103.06 2.4 34.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.275 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.625 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 38.3 m0 -56.74 -43.38 99.34 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.67 -16.15 23.59 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.181 1.921 . . . . 0.0 113.277 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.29 -7.59 72.72 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.097 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.839 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 7.3 mp -118.91 -39.66 2.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.153 0.502 . . . . 0.0 110.214 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.82 112.35 24.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.273 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.7 m -81.59 -5.98 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.882 178.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' HG2' ' HE2' ' A' ' 54' ' ' MET . 32.3 tt0 -75.16 -21.95 58.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.881 -175.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -115.66 173.22 6.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.024 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.25 -33.28 3.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.871 0.367 . . . . 0.0 111.16 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.533 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 50.8 m -148.94 140.7 23.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.89 0.376 . . . . 0.0 111.08 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 28' ' ' TRP . 64.7 t -121.08 102.27 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.26 126.18 47.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.258 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.615 HG22 HD11 ' A' ' 25' ' ' ILE . 3.5 t -84.64 102.1 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.4 -44.01 68.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.296 0.569 . . . . 0.0 109.93 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.39 156.16 25.66 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.527 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -121.56 108.81 14.04 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.223 0.535 . . . . 0.0 110.461 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.494 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 37.4 t70 -92.94 58.95 3.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.338 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 59.78 -83.91 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.702 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -78.44 -36.16 45.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.536 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.862 ' HG2' HG22 ' A' ' 70' ' ' VAL . 77.2 mttt -89.49 111.2 22.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.453 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.538 HG13 ' HB3' ' A' ' 69' ' ' ARG . 7.6 p -98.66 105.82 17.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-O 121.661 0.743 . . . . 0.0 109.001 170.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.5 m -94.88 118.09 31.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.181 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.438 ' HB3' HD12 ' A' ' 25' ' ' ILE . 19.7 p90 -128.58 164.52 22.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.44 0.638 . . . . 0.0 111.891 -174.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -112.21 114.51 27.35 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.273 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.544 ' O ' ' HA ' ' A' ' 64' ' ' SER . 63.3 mt -84.77 104.49 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.982 0.42 . . . . 0.0 110.263 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.533 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 38.9 m -102.96 126.62 50.2 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.567 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.44 ' HE2' ' HG2' ' A' ' 34' ' ' GLU . 42.0 mtt -101.35 175.26 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.683 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -71.73 153.55 93.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.304 172.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.652 ' HG3' HG22 ' A' ' 62' ' ' VAL . 28.1 Cg_exo -61.83 154.88 58.01 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.775 2.317 . . . . 0.0 112.757 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 61' ' ' LYS . 18.4 p30 -81.82 -167.0 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.91 -21.31 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.103 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.46 -3.66 43.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.233 0.539 . . . . 0.0 110.247 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.4 17.79 51.48 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.126 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 87.7 tttt -94.1 127.21 39.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.67 0.271 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.652 HG22 ' HG3' ' A' ' 56' ' ' PRO . 42.7 t -85.43 134.92 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.43 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -105.26 136.58 44.53 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.979 0.419 . . . . 0.0 110.597 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 73.9 p -156.35 147.36 22.12 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.673 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.573 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 47.8 p90 -148.32 149.76 32.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.0 136.08 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -139.55 146.43 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.503 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -104.78 119.54 39.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.412 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.538 ' HB3' HG13 ' A' ' 48' ' ' VAL . 71.3 ttt-85 -106.35 107.26 18.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.918 0.39 . . . . 0.0 110.034 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.862 HG22 ' HG2' ' A' ' 47' ' ' LYS . 24.1 t -94.05 128.56 45.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.733 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.492 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -93.26 110.92 22.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.494 175.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -105.41 92.34 5.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 13.0 Cg_exo -69.87 -26.92 26.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.138 2.558 . . . . 0.0 113.426 -170.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.9 t -66.67 -46.34 86.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.829 0.347 . . . . 0.0 111.383 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 p -98.91 10.79 40.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.378 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 64.2 mtt180 55.31 44.32 27.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.25 0.548 . . . . 0.0 109.863 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -119.48 139.28 52.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.439 -172.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.554 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 91.0 t -114.79 126.7 72.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 172.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 79' ' ' ARG . 33.6 mtt180 -111.73 102.66 10.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.355 -177.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.05 99.45 9.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.945 0.403 . . . . 0.0 110.753 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -102.02 138.15 39.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.017 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -89.42 122.52 32.71 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.756 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.4 t -73.43 -49.65 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.386 0.612 . . . . 0.0 109.564 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 42.5 mt-10 -96.69 121.0 38.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.323 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.412 ' OG1' ' HB2' ' A' ' 88' ' ' PHE . 5.5 t -159.27 145.76 16.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.896 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -111.23 -82.96 1.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.541 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.57 -24.35 74.77 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.966 2.444 . . . . 0.0 112.809 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HB2' ' OG1' ' A' ' 85' ' ' THR . 81.6 m-85 -95.54 101.12 12.8 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -60.61 -39.62 88.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.906 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -135.14 141.96 46.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.398 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 42.7 ttm -159.11 108.61 1.92 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.254 0.549 . . . . 0.0 111.326 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -124.71 115.94 21.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.119 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.53 HG23 ' HG2' ' A' ' 110' ' ' GLN . 23.8 mt -99.02 106.46 18.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.989 0.423 . . . . 0.0 110.337 -176.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 97.0 t -98.32 112.79 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.055 -177.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.554 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 26.4 m0 -98.26 102.15 13.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -98.44 129.99 45.05 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -101.37 115.11 29.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.067 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.477 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.78 107.33 18.27 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.077 -175.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.472 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 36.0 tt0 -68.21 106.5 2.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.913 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.4 m -120.88 163.22 18.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.151 -175.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.83 -29.5 66.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.52 -24.5 42.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 0.0 110.775 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.61 -169.44 27.8 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.695 -173.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.3 m -79.89 108.96 13.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.866 0.365 . . . . 0.0 110.41 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.477 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 98.7 t -82.5 117.89 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 49.0 ttp -94.85 118.35 31.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.061 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.444 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 40.3 ttm180 -105.8 114.71 29.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.698 -177.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -96.3 91.36 5.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.163 0.506 . . . . 0.0 110.443 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.573 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 92.0 m -89.73 98.62 11.87 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.796 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.53 ' HG2' HG23 ' A' ' 93' ' ' ILE . 86.1 mt-30 -95.39 102.93 14.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.386 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -89.01 98.36 11.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -124.97 146.08 49.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.068 0.461 . . . . 0.0 110.495 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -130.26 108.21 9.85 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.836 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.567 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 60.7 mtp -98.84 141.29 31.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.178 0.514 . . . . 0.0 110.813 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.454 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 1.8 ttpm? -164.51 -56.98 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.502 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.454 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 11.6 Cg_endo -55.81 101.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.253 1.969 . . . . 0.0 112.749 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.9 t70 56.66 36.24 27.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.3 112.71 49.87 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -81.03 -2.14 11.59 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.786 2.324 . . . . 0.0 112.019 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 124' ' ' TRP . 9.3 m -115.76 156.77 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.752 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.682 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 38.8 t70 -97.3 29.51 3.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.324 -174.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 69.44 -48.43 0.6 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.161 -178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.44 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.682 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 95.7 m95 -60.0 -41.36 91.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.436 175.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 96.8 mmm -67.16 -50.48 61.02 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.87 177.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.4 m -51.96 -46.54 64.83 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.548 0.53 . . . . 0.0 111.589 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 18.9 t70 -57.79 -49.86 75.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 110.48 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -66.67 -37.85 85.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.704 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 125' ' ' MET . 75.6 mt -62.82 -45.98 97.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.554 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 13.9 m120 -53.36 -46.69 69.69 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.102 0.477 . . . . 0.0 110.411 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 81.8 mtt-85 -67.96 -51.15 50.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.068 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -66.33 -32.03 73.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.609 ' O ' ' HB2' ' A' ' 137' ' ' MET . 18.3 t -59.85 -43.87 94.4 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 130' ' ' ASN . 67.4 mtm180 -58.79 -40.53 84.3 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.152 176.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.8 m -64.93 -60.03 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.277 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -71.88 -44.11 64.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.188 -173.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.609 ' HB2' ' O ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -66.34 -36.76 83.74 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 121.256 -0.178 . . . . 0.0 110.985 -177.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.08 -36.77 75.16 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.473 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.13 -51.44 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.551 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.489 HG23 HD23 ' A' ' 31' ' ' LEU . 75.8 mt -64.94 -39.55 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.261 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 137' ' ' MET . 16.2 ttp85 -52.0 -56.34 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.993 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -69.12 -40.12 78.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.839 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 9.4 tpt180 -52.4 -52.63 52.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.017 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' A' ' 18' ' ' VAL . 15.7 tt -76.32 -30.31 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.56 -38.08 83.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.034 0.445 . . . . 0.0 109.844 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.99 -37.0 85.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.354 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.07 -38.55 85.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.31 -19.3 60.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.073 0.463 . . . . 0.0 110.878 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -85.24 -30.85 24.15 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.349 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.469 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.5 124.04 12.39 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.431 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -121.93 92.26 3.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.953 0.406 . . . . 0.0 109.997 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.538 ' OG1' ' HB2' ' A' ' 110' ' ' GLN . 3.0 p -101.69 101.93 12.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.47 -178.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.43 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 30.6 t70 -94.58 100.41 12.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.504 HD21 ' HB ' ' A' ' 5' ' ' THR . 34.6 m-80 -105.97 102.04 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.927 0.394 . . . . 0.0 111.102 -175.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.824 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 27.6 mt-10 -92.09 130.12 37.89 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.411 HG21 ' HB3' ' A' ' 137' ' ' MET . 6.0 tp -129.96 112.5 24.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.308 0.575 . . . . 0.0 109.936 173.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.405 HG23 HG22 ' A' ' 105' ' ' VAL . 9.3 m -79.7 113.42 17.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.432 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.543 HD13 HG21 ' A' ' 144' ' ' ILE . 62.0 mt -106.51 129.15 60.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.205 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.4 71.46 9.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.25 0.548 . . . . 0.0 110.305 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.43 149.43 24.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.858 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.49 ' O ' HG23 ' A' ' 18' ' ' VAL . 35.1 Cg_exo -62.11 137.83 68.94 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.008 2.472 . . . . 0.0 112.049 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 75.3 mtp -61.8 -20.82 64.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.253 -174.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.99 -60.36 3.99 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.675 0.274 . . . . 0.0 110.735 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.644 ' HA ' HG22 ' A' ' 20' ' ' THR . 23.1 tp -69.42 -31.69 70.19 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.607 ' HA ' HD11 ' A' ' 144' ' ' ILE . 89.8 t -56.94 -50.9 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.684 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -65.93 -49.91 66.28 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.56 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 17' ' ' LEU . 13.9 t -67.15 -17.01 64.66 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -173.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 83.4 mtp -93.34 -45.72 7.69 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.328 177.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.665 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 45.5 p -80.22 -22.33 41.94 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.767 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 12.8 t30 -86.01 -26.27 25.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.706 0.289 . . . . 0.0 110.923 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.53 ' OD2' ' HG2' ' A' ' 27' ' ' LYS . 13.6 t70 -79.3 97.98 6.5 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.621 HD11 HG22 ' A' ' 40' ' ' VAL . 20.4 pt -63.37 -21.06 27.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.158 -169.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.95 3.07 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.059 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.53 ' HG2' ' OD2' ' A' ' 24' ' ' ASP . 47.7 mmtm -92.09 -20.2 21.52 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.521 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 48.5 m0 -55.01 -51.12 82.15 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.938 -175.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.9 Cg_endo -59.04 -18.35 42.8 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.302 2.001 . . . . 0.0 113.301 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.23 -27.07 56.42 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.788 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.35 -45.41 5.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.771 0.32 . . . . 0.0 110.573 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -94.27 119.85 33.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.943 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 p -73.08 -32.15 64.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.38 -29.63 67.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -170.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -86.42 137.86 32.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' A' ' 55' ' ' HIS . . . -96.67 -58.54 2.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.653 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 m -134.59 135.32 42.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG11 ' HB ' ' A' ' 25' ' ' ILE . 66.5 t -104.08 106.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -93.87 119.61 33.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.989 -172.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.621 HG22 HD11 ' A' ' 25' ' ' ILE . 32.0 t -81.67 99.46 4.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.8 0.334 . . . . 0.0 110.245 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.45 -44.61 70.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.916 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.13 161.87 33.04 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.846 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -107.23 161.42 14.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.93 0.395 . . . . 0.0 110.154 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.761 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 30.6 t70 -138.07 159.45 42.0 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -49.66 -42.11 44.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.018 0.437 . . . . 0.0 111.638 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -124.4 10.07 8.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.407 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.889 ' HG2' HG22 ' A' ' 70' ' ' VAL . 40.2 mttp -137.57 178.03 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 111.739 -175.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.0 p -148.38 117.83 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.588 167.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.434 HG23 ' HG2' ' A' ' 68' ' ' GLU . 9.2 m -90.19 113.69 25.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.943 -177.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -127.31 161.01 29.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.168 0.508 . . . . 0.0 111.413 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -113.83 112.59 23.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.283 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 64' ' ' SER . 46.3 mt -81.51 106.1 13.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.585 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.6 p -102.4 120.07 39.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.7 mtt -82.47 172.01 13.49 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.459 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.433 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 38.0 p-80 -59.98 141.04 90.16 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.415 178.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -51.96 119.47 5.75 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.696 2.264 . . . . 0.0 111.931 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.46 159.38 34.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.671 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.39 -26.8 54.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.453 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.19 -5.45 41.91 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.121 0.486 . . . . 0.0 111.038 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.69 14.35 61.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.783 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -109.58 142.67 40.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.992 0.425 . . . . 0.0 111.048 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.57 102.07 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.088 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -69.59 107.28 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.675 0.75 . . . . 0.0 110.721 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.591 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 6.6 m -126.68 141.8 51.74 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.629 -175.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -144.49 149.46 35.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.802 0.334 . . . . 0.0 110.404 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -81.77 129.6 37.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.505 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.9 t -141.78 147.47 37.37 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HG2' HG23 ' A' ' 49' ' ' THR . 42.9 mt-10 -118.77 132.07 56.13 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.82 -178.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.453 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 31.6 ttt85 -101.74 107.12 18.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.37 176.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.889 HG22 ' HG2' ' A' ' 47' ' ' LYS . 40.0 t -88.75 105.52 15.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.687 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HA ' HG22 ' A' ' 78' ' ' VAL . . . -107.72 108.21 19.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.664 0.269 . . . . 0.0 111.556 -175.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 22.9 t70 -104.95 106.03 53.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 12.5 Cg_exo -70.63 -23.28 27.01 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 123.154 2.569 . . . . 0.0 112.839 -175.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.4 t -71.12 -52.09 29.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.114 0.483 . . . . 0.0 110.368 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -80.42 -15.29 57.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.04 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 60.85 39.63 16.73 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.032 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.5 m -131.46 130.88 43.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.779 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.586 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 97.7 t -119.01 136.21 56.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.233 -176.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.469 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 99.5 mtt180 -110.94 110.39 20.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.615 178.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.89 94.26 6.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -93.13 133.11 36.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.932 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 ttt-85 -85.04 106.67 16.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.093 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.3 -48.55 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.032 0.444 . . . . 0.0 110.432 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -90.19 150.08 22.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.686 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 17.1 p -121.81 -91.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.59 -107.82 3.44 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.231 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.77 -2.61 11.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.837 2.358 . . . . 0.0 112.326 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.686 ' O ' ' HB ' ' A' ' 85' ' ' THR . 96.3 m-85 -123.01 155.13 37.46 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -95.24 -37.55 10.97 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.9 0.381 . . . . 0.0 110.494 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -149.51 146.65 27.5 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 54.7 ttm -160.02 110.67 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 0.0 111.29 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -128.72 113.62 15.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.877 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.524 HG23 ' HG2' ' A' ' 110' ' ' GLN . 44.5 mt -95.16 113.53 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.516 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.575 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 38.4 t -93.84 120.79 43.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.397 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.665 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.2 m0 -97.57 98.22 9.72 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.843 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 48.5 mt-10 -91.0 114.17 26.62 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.409 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -91.48 109.26 20.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.464 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.78 121.21 43.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.046 0.451 . . . . 0.0 111.287 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.41 122.68 18.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.533 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' ' 103' ' ' GLY . 1.9 m -135.06 153.96 51.86 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.17 -14.46 57.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.318 0.58 . . . . 0.0 110.335 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.89 17.9 20.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.596 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.502 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 135.34 -169.23 23.48 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.272 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.3 m -109.43 117.3 33.67 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -91.44 102.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 44.7 ttp -92.98 118.64 31.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.843 ' HB2' ' HB2' ' A' ' 96' ' ' GLU . 35.8 mtp85 -103.21 114.62 29.06 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.489 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 3.8 m0 -89.39 82.49 6.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.845 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.575 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 8.7 m -87.64 94.97 9.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.538 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 85.8 mt-30 -91.64 109.38 20.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.786 -177.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -95.73 100.75 12.43 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -128.37 169.47 14.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.892 0.377 . . . . 0.0 110.443 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.34 128.44 12.76 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.522 ' C ' ' HD2' ' A' ' 116' ' ' PRO . 39.1 mtp -92.95 -119.61 0.09 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 119.118 -0.468 . . . . 0.0 110.139 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 114' ' ' MET . 23.5 mtpp 109.22 -32.75 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.037 1.335 . . . . 0.0 113.355 174.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.522 ' HD2' ' C ' ' A' ' 114' ' ' MET . 64.8 Cg_exo -44.75 159.31 0.13 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.278 1.319 . . . . 0.0 111.48 164.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -75.92 27.37 0.11 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.357 -173.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 116' ' ' PRO . . . -66.88 143.07 97.82 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.124 177.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.86 -44.54 46.52 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.905 2.404 . . . . 0.0 112.456 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.607 HG12 ' HD1' ' A' ' 124' ' ' TRP . 27.4 m -81.68 135.35 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.075 175.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.84 -177.57 3.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.35 -42.76 67.13 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.641 0.588 . . . . 0.0 111.342 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.04 -45.63 48.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.035 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.607 ' HD1' HG12 ' A' ' 120' ' ' VAL . 68.0 t-105 -69.16 -33.6 73.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.958 0.409 . . . . 0.0 110.254 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.514 ' HA ' ' CE ' ' A' ' 125' ' ' MET . 1.1 mmt -62.53 -38.93 91.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.088 173.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.517 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 87.8 m -56.55 -49.99 73.19 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.267 0.354 . . . . 0.0 110.989 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 8.8 t70 -57.22 -50.33 73.19 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.793 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -62.38 -47.4 84.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.41 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.92 -41.11 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.058 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.438 HD22 ' HA ' ' A' ' 130' ' ' ASN . 7.2 m120 -56.71 -48.83 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.874 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 38.6 mtt-85 -69.63 -51.25 36.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -64.54 -46.03 84.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.286 -174.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.8 m -68.02 -34.37 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.103 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -56.46 -48.64 76.66 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.0 m -68.91 -47.77 64.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.369 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -65.77 -46.47 78.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.727 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.411 ' HB3' HG21 ' A' ' 9' ' ' ILE . 89.3 mmm -68.28 -30.05 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.66 89.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.606 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.45 -48.1 81.12 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.03 0.443 . . . . 0.0 110.235 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.33 -42.57 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.276 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.492 ' HA ' HG22 ' A' ' 144' ' ' ILE . 1.1 tmt_? -59.74 -42.65 93.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.937 177.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 11.6 t70 -60.84 -49.44 77.45 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 143' ' ' ARG . 53.9 mmt-85 -62.74 -45.5 92.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.808 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 18' ' ' VAL . 17.5 tt -70.43 -31.54 47.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 121.126 -0.229 . . . . 0.0 111.475 -174.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.1 -35.38 66.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.452 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 99.4 mt-30 -61.31 -42.49 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.179 0.514 . . . . 0.0 109.724 173.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.23 85.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.324 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.424 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . . . -71.55 -20.64 62.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 111.551 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -83.92 -38.8 9.96 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.201 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.392 0.615 . . . . 0.0 110.436 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -110.92 105.99 1.98 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -91.5 92.86 8.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.75 0.31 . . . . 0.0 110.234 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 129' ' ' ILE . 12.0 m -91.93 101.7 14.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.118 178.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -104.36 88.73 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.629 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -90.0 111.48 22.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.059 0.457 . . . . 0.0 109.822 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.573 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 32.5 mt-10 -103.91 116.36 32.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.708 -175.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 137' ' ' MET . 15.6 tt -126.56 134.46 66.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.143 0.497 . . . . 0.0 110.919 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.8 m -89.37 116.82 27.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.86 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.1 mt -102.23 127.72 55.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.865 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.58 68.22 10.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.153 0.502 . . . . 0.0 110.627 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.63 148.95 19.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.606 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.537 ' O ' HG23 ' A' ' 18' ' ' VAL . 20.4 Cg_endo -60.99 138.73 80.55 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.281 2.654 . . . . 0.0 112.344 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.49 ' HG2' ' OG1' ' A' ' 104' ' ' THR . 78.3 mtp -58.23 -36.1 72.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.56 -172.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.17 -56.03 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -174.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.651 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 22.6 tp -64.21 -32.67 74.34 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 122.458 -0.151 . . . . 0.0 111.246 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 14' ' ' PRO . 96.2 t -60.52 -53.36 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.922 0.392 . . . . 0.0 110.082 175.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.414 ' CZ2' ' HB1' ' A' ' 71' ' ' ALA . 47.0 t-105 -56.13 -45.3 79.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.958 0.885 . . . . 0.0 109.655 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.651 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 4.5 m -57.5 -43.5 84.26 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.176 -1.374 . . . . 0.0 112.18 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 96.6 mmm -71.03 -40.11 71.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.47 0.176 . . . . 0.0 111.399 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.6 p -75.82 -14.16 60.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.34 . . . . 0.0 111.494 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -77.94 -24.98 48.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.734 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.474 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 13.4 t0 -79.23 81.97 5.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.589 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 28.6 pt -65.7 -24.92 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.805 -171.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.22 -22.91 61.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 111.315 -175.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HZ3' ' CG ' ' A' ' 24' ' ' ASP . 56.0 mttp -100.07 9.12 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.589 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 41.0 m0 -56.78 -48.27 97.58 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.769 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 15.5 Cg_endo -57.81 -19.74 40.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.391 2.061 . . . . 0.0 113.085 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.24 -23.98 77.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.832 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.39 -47.33 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.178 0.513 . . . . 0.0 110.398 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -78.91 166.38 22.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.468 -176.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 p -124.74 29.68 6.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -125.86 -25.41 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -174.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -117.27 160.31 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.228 -0.295 . . . . 0.0 111.207 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.93 -63.0 1.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.325 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.579 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 35.9 m -118.39 111.71 19.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.965 0.412 . . . . 0.0 111.002 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.1 t -102.39 103.3 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -103.56 132.43 49.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -174.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.535 HG22 HD11 ' A' ' 25' ' ' ILE . 21.5 t -77.89 125.61 37.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.227 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.9 mt -95.2 -19.73 19.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.353 0.596 . . . . 0.0 109.852 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.18 -176.85 23.99 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -156.23 137.53 13.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 117.614 0.707 . . . . 0.0 111.856 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.663 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 38.7 t70 -91.83 72.5 5.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.676 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 61.72 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.542 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -95.12 -27.78 15.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.782 0.325 . . . . 0.0 110.905 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.709 ' HG2' HG22 ' A' ' 70' ' ' VAL . 97.3 mttt -79.97 97.31 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.748 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 69' ' ' ARG . 10.9 p -89.2 121.17 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.505 0.669 . . . . 0.0 110.309 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 m -100.63 113.9 27.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.618 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.466 ' HB3' HD12 ' A' ' 25' ' ' ILE . 43.6 p90 -123.71 155.99 36.8 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.517 0.675 . . . . 0.0 111.679 -176.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -102.86 113.04 26.14 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.677 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 64' ' ' SER . 13.1 mt -85.32 90.66 7.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 64.2 m -83.8 97.77 9.35 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.633 0.73 . . . . 0.0 109.042 172.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.5 ttt -82.77 157.33 23.28 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.123 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 18.3 p-80 -58.72 139.17 86.35 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.393 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HG3' HG22 ' A' ' 62' ' ' VAL . 26.6 Cg_exo -62.63 140.05 78.93 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.597 2.198 . . . . 0.0 112.029 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.608 ' HB2' ' CZ2' ' A' ' 63' ' ' TRP . 17.7 t70 -79.58 170.04 17.14 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.36 -21.12 63.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.331 0.586 . . . . 0.0 109.948 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.43 -25.0 68.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.779 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.42 -2.61 68.03 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.098 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -83.09 129.64 35.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.431 HG22 ' HG3' ' A' ' 56' ' ' PRO . 41.6 t -96.44 108.56 21.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 176.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.608 ' CZ2' ' HB2' ' A' ' 57' ' ' ASP . 4.7 m0 -79.34 103.49 9.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.312 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 17.0 t -125.64 102.79 7.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.1 p90 -121.61 171.63 8.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.952 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.7 t -96.4 144.64 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.076 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -143.11 141.46 31.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.832 0.348 . . . . 0.0 110.184 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -109.4 128.47 55.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.374 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 30.9 ttp85 -118.37 105.84 12.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.867 0.365 . . . . 0.0 110.048 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.709 HG22 ' HG2' ' A' ' 47' ' ' LYS . 40.0 t -90.54 118.2 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.798 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.434 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -105.91 113.65 27.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.537 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.1 100.79 18.4 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 14.4 Cg_exo -69.67 -15.68 37.54 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.264 2.643 . . . . 0.0 112.897 -175.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.3 t -81.37 -41.32 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.321 0.581 . . . . 0.0 110.145 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 m -89.19 -13.66 37.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.691 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? 59.52 41.61 18.83 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.906 -175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.1 m -134.15 132.51 39.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.331 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.544 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 48.4 t -114.77 136.66 50.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.038 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -125.31 117.54 24.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.813 0.34 . . . . 0.0 110.631 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -111.3 113.68 26.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.607 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.459 ' HB3' ' ND2' ' A' ' 92' ' ' ASN . 13.2 pt20 -112.11 141.97 45.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.627 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.621 HH21 ' HG3' ' A' ' 91' ' ' MET . 39.6 mtm180 -98.2 135.37 39.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.436 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.5 t -76.47 -34.93 25.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.359 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.47 138.51 43.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.181 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 22.5 p -116.1 -156.95 0.63 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.761 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.79 -107.98 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.75 -27.09 44.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.367 2.045 . . . . 0.0 110.77 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.604 ' O ' ' HB ' ' A' ' 85' ' ' THR . 74.5 m-85 -94.87 135.54 36.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.202 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -81.06 -36.95 29.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.449 0.642 . . . . 0.0 109.856 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.603 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 49.6 t80 -129.95 135.78 48.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.848 -176.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.621 ' HG3' HH21 ' A' ' 82' ' ' ARG . 83.2 mmm -141.99 99.84 3.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.677 0.275 . . . . 0.0 111.465 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 81' ' ' GLN . 12.3 t-20 -131.42 107.46 8.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 20.0 mt -92.42 117.4 35.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.811 0.339 . . . . 0.0 110.419 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.578 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 39.4 t -105.69 117.18 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.972 -176.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.544 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 49.3 m0 -102.0 101.09 11.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.7 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.46 ' HB3' ' HB3' ' A' ' 107' ' ' ARG . 28.5 tt0 -99.96 125.42 45.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -102.41 114.53 28.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.304 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.69 132.61 51.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.644 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.1 138.42 40.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.135 0.493 . . . . 0.0 110.87 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.466 ' OG1' HG23 ' A' ' 105' ' ' VAL . 18.4 m -140.28 161.89 36.59 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.472 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.25 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.22 5.15 31.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 156.13 -169.1 33.65 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 119.023 -1.56 . . . . 0.0 113.352 -176.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.49 ' OG1' ' HG2' ' A' ' 15' ' ' MET . 5.3 m -98.91 123.54 43.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.471 -0.365 . . . . 0.0 111.185 -176.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.466 HG23 ' OG1' ' A' ' 100' ' ' THR . 69.6 t -86.27 112.59 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 170.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 44.8 ttp -94.08 115.77 28.11 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.573 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 19.9 ttm-85 -88.63 98.15 11.51 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.89 85.62 6.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.123 0.487 . . . . 0.0 109.838 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.578 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 56.8 m -89.14 98.93 12.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.448 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -89.06 95.58 10.37 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.77 100.24 13.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.603 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -123.17 167.64 13.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.252 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.603 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -144.95 128.6 17.15 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.493 176.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.426 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 77.1 mtp -105.81 168.74 8.91 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.362 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.503 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 10.2 mtpp -169.79 -44.43 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 123.776 0.673 . . . . 0.0 111.149 -176.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.503 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 51.6 Cg_exo -43.28 161.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.365 1.415 0 C-N-CA 122.075 1.85 . . . . 0.0 112.565 170.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.04 31.85 0.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.628 0.728 . . . . 0.0 111.03 -168.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -63.71 139.79 97.69 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.374 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 13.8 Cg_exo -70.44 -2.2 10.27 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.128 2.552 . . . . 0.0 112.81 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.6 m -110.09 124.4 66.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.2 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.83 175.65 10.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.874 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -55.37 -45.31 76.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.599 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.92 98.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.675 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -64.35 -42.54 96.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.979 0.419 . . . . 0.0 110.048 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.426 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 90.9 mmm -69.47 -37.84 77.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 91.7 m -57.69 -44.88 86.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.994 0.426 . . . . 0.0 109.999 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.81 -46.28 91.16 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.638 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -57.43 -49.8 75.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.712 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.45 ' CG2' HG21 ' A' ' 5' ' ' THR . 98.8 mt -63.91 -37.0 78.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.122 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -52.06 -47.71 64.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.539 0.209 . . . . 0.0 110.846 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -67.65 -53.75 25.33 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.192 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.03 -48.97 78.47 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.271 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' A' ' 137' ' ' MET . 28.3 t -60.61 -52.5 64.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.775 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -56.09 -35.19 66.73 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 38.8 m -69.34 -54.38 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.989 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -69.7 -33.52 72.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.68 -176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.495 ' HB3' HG21 ' A' ' 9' ' ' ILE . 29.7 mmt -64.82 -38.62 91.61 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.67 81.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.97 0.414 . . . . 0.0 110.572 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.7 tt -67.94 -49.33 62.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.028 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.511 ' O ' HG12 ' A' ' 144' ' ' ILE . 65.9 mt -63.69 -48.94 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.682 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -41.72 72.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.996 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.593 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 14.1 t70 -60.54 -48.4 81.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.067 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -68.08 -36.11 79.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.162 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 140' ' ' ILE . 36.0 mm -59.47 -47.39 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.144 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.44 -31.27 71.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.015 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 50.0 mt-30 -63.2 -52.47 62.17 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.088 0.471 . . . . 0.0 110.301 174.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.83 91.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.143 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.47 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -73.41 -15.05 61.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.67 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -85.59 -30.97 22.86 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.526 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.512 178.2 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.92 90.77 1.19 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.969 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -93.03 89.52 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.114 0.483 . . . . 0.0 109.977 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.549 ' HG1' ' HE2' ' A' ' 112' ' ' PHE . 13.3 m -101.16 113.51 26.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.824 -175.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -99.18 95.98 7.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.494 0.664 . . . . 0.0 110.555 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.829 HD21 HG22 ' A' ' 129' ' ' ILE . 91.9 m-20 -91.62 94.87 9.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.552 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.641 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 24.4 mt-10 -101.53 110.7 22.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.515 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.524 HG21 ' HB3' ' A' ' 137' ' ' MET . 14.5 tt -118.6 131.7 70.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.112 0.482 . . . . 0.0 110.294 175.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.8 m -84.22 113.22 20.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.773 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 144' ' ' ILE . 30.8 mm -86.56 138.93 18.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.242 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.46 37.97 0.53 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 0.0 111.053 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.53 146.57 32.99 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.024 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' O ' HG23 ' A' ' 18' ' ' VAL . 46.5 Cg_endo -69.29 161.8 44.4 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.679 2.253 . . . . 0.0 112.234 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.475 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 83.6 mtp -60.22 -20.94 61.01 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.79 -62.74 1.45 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.451 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.94 -32.74 61.84 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.184 -0.207 . . . . 0.0 110.89 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.475 ' HB ' ' HA ' ' A' ' 15' ' ' MET . 72.9 t -56.5 -54.81 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.027 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -65.11 -42.32 94.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -32.83 63.88 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.262 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.3 mmm -92.36 -41.52 10.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.5 p -74.93 -24.4 58.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.74 0.305 . . . . 0.0 111.734 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.501 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 65.0 t30 -72.01 -24.92 61.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.289 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.7 94.84 8.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.1 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 40' ' ' VAL . 36.0 pt -70.35 -19.73 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.39 -171.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.65 -8.39 57.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -103.0 -2.85 26.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.531 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 45.6 m0 -57.96 -51.8 79.15 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.531 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 45.3 Cg_exo -57.61 -27.54 77.49 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 122.324 2.016 . . . . 0.0 113.061 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.5 -39.04 57.4 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.896 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mp -86.33 -48.3 8.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.714 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CD2' HD11 ' A' ' 140' ' ' ILE . 0.3 OUTLIER -97.19 103.37 15.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 m -88.47 82.78 6.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.218 0.532 . . . . 0.0 111.198 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -159.86 -46.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.334 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.449 ' HD1' ' SD ' ' A' ' 54' ' ' MET . 29.6 m-85 -79.46 130.97 35.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.309 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.47 86.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.838 0.352 . . . . 0.0 110.998 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.4 t -165.96 153.42 10.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.295 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.512 HG21 ' HB2' ' A' ' 28' ' ' TRP . 98.9 t -110.85 103.22 15.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -94.25 131.7 39.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.285 -173.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.585 HG22 HD11 ' A' ' 25' ' ' ILE . 38.3 t -78.83 105.24 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.895 177.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.3 tp -82.0 -27.27 33.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.389 0.614 . . . . 0.0 109.563 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.37 -176.56 35.31 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.116 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' A' ' 48' ' ' VAL . 64.6 mtp180 -132.84 124.93 28.88 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.833 0.316 . . . . 0.0 110.522 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -81.88 68.92 8.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 57.68 -85.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.62 -1.173 . . . . 0.0 112.286 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.08 -12.93 42.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.971 0.415 . . . . 0.0 110.565 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -107.0 165.84 11.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.168 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.579 HG13 ' HB3' ' A' ' 69' ' ' ARG . 7.3 p -126.09 123.54 64.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 110.035 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.1 m -101.68 116.13 32.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.237 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 67' ' ' SER . 36.1 p90 -119.65 146.28 45.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.134 0.492 . . . . 0.0 110.819 -175.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -110.56 117.09 32.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.715 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.5 mt -83.46 113.68 20.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.6 p -95.09 121.55 36.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.865 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.493 ' HB2' ' HB2' ' A' ' 63' ' ' TRP . 86.9 mmm -106.42 168.57 9.07 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 7.4 p80 -63.5 134.6 95.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.025 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.541 ' HG3' HG22 ' A' ' 62' ' ' VAL . 22.7 Cg_exo -65.23 153.0 80.34 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.847 2.364 . . . . 0.0 112.35 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.19 164.29 13.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.614 174.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.37 61.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 110.869 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.03 -29.98 66.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.548 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.4 -3.39 20.19 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.633 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -73.96 116.42 14.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.829 0.347 . . . . 0.0 110.435 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.541 HG22 ' HG3' ' A' ' 56' ' ' PRO . 43.6 t -80.67 118.61 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.491 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.493 ' HB2' ' HB2' ' A' ' 54' ' ' MET . 19.7 m0 -79.87 117.26 20.57 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -150.34 136.31 18.5 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.48 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.499 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 7.4 p90 -137.53 137.17 38.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.039 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.0 t -83.11 140.46 16.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.423 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 16.5 m -140.36 155.53 46.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.471 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.84 121.1 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.681 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.579 ' HB3' HG13 ' A' ' 48' ' ' VAL . 46.3 ttt-85 -105.28 116.93 32.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.38 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.31 114.1 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.186 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.69 109.3 20.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.506 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 17.8 t70 -97.21 111.65 58.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.977 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 5.0 Cg_exo -78.38 -11.45 15.9 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.259 2.639 . . . . 0.0 113.028 -175.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -82.83 -51.28 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.282 0.563 . . . . 0.0 110.077 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m -83.83 -19.39 35.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.749 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 61.13 50.81 4.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.151 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.3 m -134.63 132.6 39.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.806 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.53 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 60.4 t -114.28 124.97 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.634 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -108.91 115.12 29.47 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.196 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.01 96.06 6.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.368 0.604 . . . . 0.0 109.879 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -97.7 134.03 41.43 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.381 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.611 HH12 ' HA ' ' A' ' 85' ' ' THR . 41.0 mtm105 -95.11 118.01 31.17 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.332 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.4 t -71.7 -40.85 70.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.211 0.529 . . . . 0.0 109.717 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.499 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 43.4 mt-10 -102.02 149.14 24.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.042 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.611 ' HA ' HH12 ' A' ' 82' ' ' ARG . 7.0 t -151.43 176.21 11.51 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.029 -176.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . -126.08 -97.24 1.05 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.772 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.44 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 4.7 Cg_exo -75.28 2.29 6.93 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.887 2.391 . . . . 0.0 112.434 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -109.06 137.02 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -82.55 -30.44 29.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.278 0.561 . . . . 0.0 110.064 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -150.98 153.05 34.45 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.0 ttm -166.91 110.02 0.71 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.179 0.514 . . . . 0.0 111.821 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -119.39 116.97 27.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.526 HG23 ' HG2' ' A' ' 110' ' ' GLN . 40.7 mt -95.28 103.07 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.871 0.367 . . . . 0.0 110.55 -175.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 48.8 t -90.39 109.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.048 -178.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 30.4 m0 -86.1 94.26 9.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.392 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -96.12 125.31 40.56 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -106.12 114.79 29.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.878 0.371 . . . . 0.0 110.693 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.43 101.94 11.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.296 0.57 . . . . 0.0 110.091 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.433 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 41.7 tt0 -61.91 129.51 41.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.715 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -128.46 169.44 14.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.59 -42.63 98.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.659 0.266 . . . . 0.0 111.68 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.89 -39.19 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.525 -175.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 11' ' ' ILE . . . -166.68 -169.21 29.99 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.449 -0.882 . . . . 0.0 112.268 -178.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m -99.9 125.41 45.88 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.542 0.211 . . . . 0.0 111.048 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.579 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 74.9 t -78.57 100.46 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 170.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 46.0 ttp -83.88 105.31 14.67 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.641 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 23.2 ttt180 -105.68 103.3 12.78 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.027 -172.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -86.28 92.25 8.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.845 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.4 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 16.6 m -90.71 96.4 10.62 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.496 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.526 ' HG2' HG23 ' A' ' 93' ' ' ILE . 82.7 mt-30 -89.26 114.08 25.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.985 0.421 . . . . 0.0 110.879 -177.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -91.8 92.66 8.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.549 ' HE2' ' HG1' ' A' ' 5' ' ' THR . 48.7 p90 -127.38 159.2 35.18 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.533 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.37 127.68 24.48 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.808 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.816 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 81.1 mtp -116.94 -156.55 0.63 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 114' ' ' MET . 34.1 mtmm 101.54 -14.79 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 58.3 Cg_endo -72.13 87.29 0.89 Allowed 'Trans proline' 0 C--N 1.369 1.619 0 CA-C-N 122.725 2.009 . . . . 0.0 112.569 177.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 38.6 t70 60.25 66.25 0.98 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.59 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -141.97 131.07 12.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.04 -23.74 46.01 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.861 2.374 . . . . 0.0 112.147 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.4 m -99.11 136.72 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.361 0.6 . . . . 0.0 110.612 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.673 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 23.2 t70 -93.88 168.49 10.94 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.463 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.32 -37.67 62.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.0 86.24 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.535 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.673 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 99.1 m95 -62.86 -43.52 98.57 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.988 0.423 . . . . 0.0 110.529 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.816 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 98.2 mmm -70.92 -31.69 68.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.463 -177.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 86.4 m -58.5 -51.14 71.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 110.297 176.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.39 -42.59 83.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.892 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.01 -53.64 56.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.62 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.829 HG22 HD21 ' A' ' 7' ' ' ASN . 72.0 mt -61.69 -39.05 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.736 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.534 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 3.6 t-20 -57.26 -51.05 70.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 134' ' ' ARG . 46.7 mtm105 -74.82 -38.75 61.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.73 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.13 -36.03 82.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 110.444 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.6 t -66.86 -39.06 87.45 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 131' ' ' ARG . 38.2 ttt180 -54.37 -44.48 72.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.218 174.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 25.3 m -67.63 -52.5 37.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.357 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -65.16 -45.06 86.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.856 0.36 . . . . 0.0 111.878 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.524 ' HB3' HG21 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -73.39 -19.53 60.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.111 -176.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.56 -46.91 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 168.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.96 -45.41 82.86 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.159 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' A' ' 32' ' ' PHE . 81.0 mt -66.01 -43.55 92.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.247 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -56.96 -49.34 76.01 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.137 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 4.1 m-20 -56.32 -46.89 79.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.021 0.439 . . . . 0.0 110.454 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -71.06 -29.45 65.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.968 -176.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 11' ' ' ILE . 21.0 mm -66.47 -44.24 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.049 0.452 . . . . 0.0 109.888 172.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.66 -38.13 86.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.337 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 98.4 mt-30 -63.13 -35.83 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.487 175.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.6 62.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.658 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.27 68.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.074 0.464 . . . . 0.0 110.838 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -71.75 -29.39 67.52 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 175.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.964 0.411 . . . . 0.0 110.111 177.467 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.08 110.43 3.25 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.866 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -91.32 78.26 5.77 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 HG23 ' A' ' 126' ' ' THR . 21.8 m -83.7 96.29 8.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.986 0.422 . . . . 0.0 110.932 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 38.1 t70 -105.84 94.97 5.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.275 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.664 ' OD1' ' HA ' ' A' ' 130' ' ' ASN . 0.8 OUTLIER -104.33 142.47 34.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.658 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.548 ' HB2' ' HG3' ' A' ' 107' ' ' ARG . 39.0 tt0 -130.98 148.46 52.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 -172.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 137' ' ' MET . 13.5 tt -156.07 139.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.987 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.1 m -98.94 111.19 23.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.903 0.383 . . . . 0.0 110.919 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.6 mt -90.47 127.77 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.285 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.92 78.24 9.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.162 0.506 . . . . 0.0 110.758 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.64 152.02 10.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.705 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.448 ' O ' HG23 ' A' ' 18' ' ' VAL . 32.1 Cg_exo -58.63 133.01 51.52 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.66 2.24 . . . . 0.0 111.886 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.416 ' HG2' ' OG1' ' A' ' 104' ' ' THR . 68.1 mtp -54.5 -30.93 54.97 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.612 -175.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.44 -62.8 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.606 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 7.2 mp -61.18 -32.33 72.08 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.485 HG22 HG21 ' A' ' 144' ' ' ILE . 84.1 t -59.88 -55.25 25.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.705 0.288 . . . . 0.0 110.619 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -63.78 -39.16 93.58 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.294 0.569 . . . . 0.0 109.618 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.606 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 18.8 m -56.41 -46.49 80.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.906 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.1 mtp -76.44 -32.81 58.67 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.8 p -85.54 -11.55 53.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.654 0.264 . . . . 0.0 111.544 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.581 ' HA ' HH22 ' A' ' 69' ' ' ARG . 48.1 t-20 -62.18 -61.99 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -71.95 124.95 26.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.849 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.635 HD11 HG22 ' A' ' 40' ' ' VAL . 27.7 pt -76.65 -19.59 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.074 -176.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.61 -5.91 47.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.56 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -95.92 -14.17 23.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.402 . . . . 0.0 110.194 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.556 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 46.6 m0 -58.79 -46.1 99.58 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.653 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 19.6 Cg_endo -61.15 -13.33 27.44 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 122.189 1.926 . . . . 0.0 112.811 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.62 -21.77 61.28 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.532 176.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.033 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 7.9 mp -102.05 -42.79 5.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.4 106.63 18.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.082 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -62.58 -27.31 69.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.927 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -77.43 -11.95 59.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.776 -175.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -92.25 99.94 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.71 -30.19 59.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.624 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 66.1 m -152.57 142.82 22.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.785 177.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.412 HG21 ' HD3' ' A' ' 29' ' ' PRO . 61.8 t -127.46 101.57 7.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 172.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -93.81 134.31 36.29 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 0.0 111.203 -173.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.635 HG22 HD11 ' A' ' 25' ' ' ILE . 6.4 t -89.67 112.76 24.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.077 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 51' ' ' ARG . 9.0 mp -85.78 -23.02 27.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.973 0.415 . . . . 0.0 110.407 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.47 158.88 10.56 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.079 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG2' HG23 ' A' ' 48' ' ' VAL . 57.8 mtp180 -138.54 110.59 7.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.977 0.418 . . . . 0.0 110.749 177.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.655 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 8.6 m-20 -93.94 65.76 3.54 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 63.46 -85.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.93 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.54 -17.91 29.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.335 0.588 . . . . 0.0 110.21 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.655 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 60.9 mttm -89.83 133.14 34.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.553 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 ' HB3' ' A' ' 69' ' ' ARG . 4.8 p -130.84 118.61 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.382 0.61 . . . . 0.0 110.382 173.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -98.71 115.86 29.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.565 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -127.06 158.3 37.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.019 0.437 . . . . 0.0 110.972 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HB2' HD11 ' A' ' 41' ' ' LEU . 43.8 ttp180 -125.72 120.05 29.62 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.714 ' O ' ' HA ' ' A' ' 64' ' ' SER . 82.2 mt -89.5 114.27 25.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.847 -177.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.518 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 97.3 m -100.22 110.98 23.24 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.667 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.6 mtt -92.45 -163.5 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.22 0.533 . . . . 0.0 111.336 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 21.7 p-80 -60.46 148.03 81.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.458 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 55' ' ' HIS . 8.1 Cg_exo -73.61 127.78 12.02 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.647 2.231 . . . . 0.0 110.695 169.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -72.3 165.55 24.24 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.44 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.94 -30.97 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.571 0.348 . . . . 0.0 111.76 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -79.73 -4.76 53.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 110.968 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.01 17.89 52.29 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.489 -175.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -89.84 111.01 21.91 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.77 120.52 37.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -81.19 88.71 6.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.36 0.6 . . . . 0.0 110.081 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.714 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 9.4 t -125.65 124.85 42.06 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.71 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 84' ' ' GLU . 12.9 p90 -134.53 147.95 50.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.025 0.44 . . . . 0.0 111.384 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.66 137.51 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.925 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.5 m -146.03 150.65 36.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.037 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -107.77 135.71 48.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.981 0.419 . . . . 0.0 110.55 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.581 HH22 ' HA ' ' A' ' 23' ' ' ASN . 33.6 ttt180 -124.83 130.18 51.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.916 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.4 t -111.31 121.31 63.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.246 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -96.63 106.11 18.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.808 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.548 ' HB3' ' O ' ' A' ' 77' ' ' THR . 0.6 OUTLIER -99.04 109.75 55.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.03 0.443 . . . . 0.0 110.982 177.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -87.12 -3.34 7.93 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.836 2.358 . . . . 0.0 112.561 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.1 t -84.35 -51.51 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.005 0.431 . . . . 0.0 110.399 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -100.05 3.88 44.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.251 0.548 . . . . 0.0 109.856 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.487 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 82.0 mtt180 60.79 36.27 19.25 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.478 175.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.548 ' O ' ' HB3' ' A' ' 72' ' ' ASP . 86.8 m -122.05 124.11 43.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.012 -175.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.59 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 44.6 t -98.75 129.83 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.523 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 27.5 mmt180 -105.56 98.88 8.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.31 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.7 101.45 9.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.868 0.366 . . . . 0.0 110.089 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.408 ' HB3' HD22 ' A' ' 92' ' ' ASN . 13.1 pt20 -112.51 140.52 47.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.307 0.575 . . . . 0.0 111.029 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -84.72 112.84 20.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.29 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.3 t -72.83 -36.2 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.534 ' HB3' ' HB2' ' A' ' 65' ' ' TRP . 7.2 tp10 -99.73 101.79 13.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.385 175.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -101.03 -80.35 0.49 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -176.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.49 -102.73 2.04 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.274 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.62 -14.26 43.87 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.05 2.5 . . . . 0.0 112.145 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -111.83 165.12 12.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.636 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.845 ' HB2' ' HB2' ' A' ' 115' ' ' LYS . 10.4 tt0 -99.77 -56.09 2.48 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.93 0.395 . . . . 0.0 110.1 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -137.35 127.02 25.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.031 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 84.0 mtp -131.25 114.73 15.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.551 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.408 HD22 ' HB3' ' A' ' 81' ' ' GLN . 21.2 t-20 -117.3 109.94 17.46 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.583 HG23 ' HG2' ' A' ' 110' ' ' GLN . 48.8 mt -92.23 111.82 24.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.972 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.584 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 41.4 t -98.25 111.35 27.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.768 -178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.59 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 11.7 m0 -92.54 96.04 9.98 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 174.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -96.83 113.13 24.66 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.836 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -90.4 117.56 29.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.93 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.536 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.59 118.69 37.33 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.327 0.584 . . . . 0.0 111.092 -175.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.487 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 45.3 tt0 -63.76 113.36 3.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.962 176.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.9 m -130.78 157.93 41.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.21 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.29 -17.51 62.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.871 -176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -92.98 -22.98 18.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.915 0.388 . . . . 0.0 111.198 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.61 -169.27 32.86 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.047 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.416 ' OG1' ' HG2' ' A' ' 15' ' ' MET . 41.7 m -80.52 108.33 14.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.87 0.366 . . . . 0.0 110.566 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 40.3 t -81.35 115.58 24.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.054 0.454 . . . . 0.0 110.182 177.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 46.6 ttp -103.57 112.24 25.07 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.548 ' HG3' ' HB2' ' A' ' 8' ' ' GLU . 23.8 ttm105 -112.23 114.05 26.62 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.117 -176.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -92.49 91.99 7.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.256 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.584 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 5.4 m -83.96 92.5 7.84 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.623 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.583 ' HG2' HG23 ' A' ' 93' ' ' ILE . 67.1 mt-30 -89.14 90.95 8.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -92.73 101.6 14.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.161 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -121.99 148.91 44.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.395 0.616 . . . . 0.0 111.803 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -120.13 133.68 55.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.208 173.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 47.6 mtp -95.07 -175.54 3.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.087 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.845 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 86.3 tttt -158.55 -55.13 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -173.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 12.1 Cg_exo -71.94 -149.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.365 2.044 . . . . 0.0 112.854 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -58.03 -38.18 75.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.806 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 50.41 77.28 0.47 Allowed Pre-proline 0 CA--C 1.534 0.349 0 O-C-N 123.817 0.698 . . . . 0.0 112.135 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.04 -32.08 54.15 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.434 2.089 . . . . 0.0 111.154 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.3 m -98.51 133.35 41.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.396 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.44 170.37 12.76 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.71 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -56.37 -41.18 75.78 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.26 98.62 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.404 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -69.99 -40.32 75.4 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.233 -0.587 . . . . 0.0 109.737 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.42 ' O ' HG13 ' A' ' 129' ' ' ILE . 82.4 mmm -61.94 -54.8 36.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.566 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.559 HG23 HG23 ' A' ' 5' ' ' THR . 47.7 m -56.05 -41.84 75.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.942 0.401 . . . . 0.0 111.323 -178.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.2 -39.23 68.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.449 . . . . 0.0 111.02 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -62.76 -48.06 80.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.112 0.482 . . . . 0.0 110.334 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.427 HD13 ' OE1' ' A' ' 110' ' ' GLN . 91.4 mt -62.44 -30.5 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.372 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.664 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 3.6 t-20 -58.66 -50.58 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.58 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -63.04 -40.62 98.27 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.955 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -61.88 -46.98 87.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.464 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.7 m -62.12 -42.35 99.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.677 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.0 ttp85 -53.36 -54.05 42.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.038 0.446 . . . . 0.0 110.158 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 29.1 m -66.69 -53.57 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.878 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -71.09 -44.3 65.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.52 ' HB3' HG21 ' A' ' 9' ' ' ILE . 19.8 mmt -74.14 -25.72 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.947 -174.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.95 85.54 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 171.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.26 -45.0 96.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.183 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.509 HG23 HD23 ' A' ' 31' ' ' LEU . 72.0 mt -62.35 -44.21 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.229 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.405 ' HE ' HD11 ' A' ' 9' ' ' ILE . 33.6 ttp85 -57.39 -51.89 67.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.521 0.201 . . . . 0.0 110.773 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -38.48 88.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 1.033 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 2.2 tpm_? -60.23 -50.48 73.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.979 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.485 HG21 HG22 ' A' ' 18' ' ' VAL . 66.0 mt -68.75 -45.49 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.73 -43.46 94.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.967 0.413 . . . . 0.0 110.231 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -59.23 -54.76 43.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.877 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.92 81.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.484 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.3 -37.5 71.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.308 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -70.35 -45.11 56.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.755 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.681 0.277 . . . . 0.0 111.384 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.632 ' HA3' ' CE1' ' A' ' 112' ' ' PHE . . . -124.33 112.84 1.88 Allowed Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.064 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -109.12 101.02 10.11 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.767 0.318 . . . . 0.0 110.175 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 m -112.16 109.41 19.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -95.61 103.12 14.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.515 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 40.2 m-80 -95.03 96.55 9.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.928 0.394 . . . . 0.0 110.251 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -97.51 137.11 36.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.303 -174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 tt -142.53 137.7 28.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.978 0.418 . . . . 0.0 110.758 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 m -96.55 112.05 23.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG23 ' HG3' ' A' ' 141' ' ' ARG . 57.7 mt -102.12 132.65 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.12 36.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.026 0.441 . . . . 0.0 111.545 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.09 147.39 44.54 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.391 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.28 137.26 80.86 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.817 2.344 . . . . 0.0 112.059 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.3 mtp -50.98 -38.04 48.53 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.86 -60.72 3.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.609 HD23 ' HB2' ' A' ' 148' ' ' ALA . 24.8 tp -63.63 -33.66 76.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.833 0.288 . . . . 0.0 111.468 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.6 t -60.23 -54.22 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.897 0.379 . . . . 0.0 110.396 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -57.73 -44.01 85.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.506 0.67 . . . . 0.0 109.451 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.599 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 17.0 m -57.77 -45.77 85.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.431 -1.258 . . . . 0.0 112.392 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 91.8 mtp -78.68 -40.74 33.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.69 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 24.7 p -72.21 -25.18 61.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -88.24 -10.88 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.55 0.204 . . . . 0.0 111.55 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -81.5 77.51 8.36 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.523 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 26.5 pt -67.48 -15.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.204 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.46 -13.62 61.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.328 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -117.78 21.74 12.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.0 111.146 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 9.7 m0 -54.46 -42.87 96.72 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 175.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -59.22 -8.12 6.05 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.424 2.082 . . . . 0.0 113.446 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.67 -10.52 67.24 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.861 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -120.24 -46.66 2.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -93.59 150.89 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.041 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.7 m -100.73 -28.9 12.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.598 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -75.72 -41.84 52.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.204 -174.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -78.81 95.65 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.383 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.52 -37.89 24.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.392 -177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.577 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 56.4 m -129.56 110.05 11.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.239 0.542 . . . . 0.0 111.426 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 28' ' ' TRP . 60.5 t -105.2 98.89 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.91 105.09 15.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -172.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.444 HG22 HD11 ' A' ' 25' ' ' ILE . 27.3 t -68.33 126.38 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.94 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.78 -37.62 11.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.954 0.407 . . . . 0.0 110.744 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.87 157.46 29.5 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.484 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -128.92 91.15 3.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.803 0.335 . . . . 0.0 110.736 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.484 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 8.1 m-20 -82.38 167.43 18.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -52.17 -39.92 60.74 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.481 0.488 . . . . 0.0 112.079 -173.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -132.94 15.71 4.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.053 0.454 . . . . 0.0 110.746 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 13.4 mptt -132.42 93.61 3.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.451 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.735 HG13 ' HB3' ' A' ' 69' ' ' ARG . 4.1 p -92.03 102.75 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.687 0.756 . . . . 0.0 109.505 172.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.7 m -81.75 118.32 22.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.41 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 69' ' ' ARG . 38.2 p90 -120.82 140.2 52.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.516 0.674 . . . . 0.0 110.96 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 51' ' ' ARG . 6.4 ttt180 -103.47 115.02 29.75 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.673 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 64' ' ' SER . 89.1 mt -87.95 113.17 23.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.19 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.577 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 18.2 m -108.86 120.59 42.95 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.74 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.7 mmt -95.03 161.46 14.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.705 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -61.17 134.67 93.17 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.224 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.477 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 78.1 Cg_exo -51.31 132.9 41.03 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.196 2.598 . . . . 0.0 112.602 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -81.92 -164.16 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.581 -176.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.44 -29.16 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.546 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.64 -19.46 61.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.275 0.56 . . . . 0.0 110.454 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.09 18.58 62.67 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.56 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 88.7 tttt -96.36 142.1 28.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.852 0.358 . . . . 0.0 110.245 -178.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.0 t -85.74 110.13 19.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.804 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -83.5 98.53 9.59 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.425 0.631 . . . . 0.0 110.771 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 15.4 m -118.98 124.32 46.73 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.613 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.538 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 13.2 p90 -128.6 142.95 50.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.037 0.446 . . . . 0.0 111.003 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.8 t -86.83 131.77 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.313 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -136.22 151.53 49.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.716 175.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -111.64 129.26 56.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.73 0.3 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.735 ' HB3' HG13 ' A' ' 48' ' ' VAL . 34.9 ttt85 -103.12 102.16 12.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.084 0.469 . . . . 0.0 110.102 176.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.93 97.92 7.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.746 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.417 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -91.65 96.36 10.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.096 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -96.46 107.36 35.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.539 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 7.7 Cg_exo -73.01 -21.2 21.0 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.909 2.406 . . . . 0.0 111.948 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.9 -45.16 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.255 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.69 12.07 29.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.918 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 56.98 34.2 24.55 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.984 0.421 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -124.14 118.1 26.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.248 -174.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.584 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 49.6 t -107.08 107.37 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 0.0 109.93 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -93.63 107.87 19.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.284 -175.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -97.97 91.74 5.46 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -94.1 123.59 37.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.691 HH21 HG23 ' A' ' 85' ' ' THR . 21.6 mtm180 -93.06 108.49 20.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.14 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.06 -39.65 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.805 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 38.1 mt-10 -108.07 115.1 29.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.494 176.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.691 HG23 HH21 ' A' ' 82' ' ' ARG . 5.6 m -122.72 5.97 9.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.19 0.519 . . . . 0.0 111.049 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.412 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 70.97 -119.94 8.37 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.012 -0.613 . . . . 0.0 113.101 176.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.412 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 15.9 Cg_exo -68.51 -22.85 38.0 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.087 2.525 . . . . 0.0 112.001 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.644 ' HB2' HG22 ' A' ' 85' ' ' THR . 57.0 m-85 -86.04 128.27 34.83 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.785 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 22.4 tm0? -67.13 -43.16 83.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.679 -172.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 75.9 t80 -148.92 149.34 31.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.401 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 52.7 ttm -152.86 110.79 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.901 0.382 . . . . 0.0 110.377 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 39.0 t-20 -107.15 115.31 29.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.63 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.498 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 16.4 mt -97.93 92.35 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.041 0.448 . . . . 0.0 109.843 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 85.0 t -90.72 110.33 22.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.04 -177.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.69 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.3 m0 -87.96 96.24 10.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -97.25 121.07 38.72 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.088 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -101.08 118.93 37.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.496 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.31 113.65 27.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.176 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -72.59 124.86 26.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.11 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.3 m -124.6 157.26 35.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.35 -23.97 65.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 111.506 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -110.69 15.12 22.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.599 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.77 -169.37 28.6 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.01 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.4 m -110.77 119.92 40.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.601 0.238 . . . . 0.0 110.424 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 67.9 t -92.19 103.46 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 55.2 ttp -90.42 120.87 31.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -104.42 108.97 20.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.829 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.493 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -79.29 83.66 5.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.05 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.559 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 85.5 m -81.26 91.22 6.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.371 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -90.14 100.98 13.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.347 0.594 . . . . 0.0 109.462 176.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -101.76 92.74 4.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.093 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.632 ' CE1' ' HA3' ' A' ' 3' ' ' GLY . 35.8 p90 -111.57 178.39 4.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.724 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -153.66 113.88 3.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.464 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.466 ' HE1' ' HB3' ' A' ' 118' ' ' ALA . 38.2 mtp -92.95 144.13 25.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.958 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.785 ' HD2' ' HG3' ' A' ' 89' ' ' GLN . 93.2 mttt -147.98 -50.91 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.082 -177.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.635 ' HD3' ' HB2' ' A' ' 115' ' ' LYS . 87.7 Cg_exo -50.84 168.72 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 121.779 1.653 . . . . 0.0 112.477 169.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -87.33 34.5 0.69 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.757 -170.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.466 ' HB3' ' HE1' ' A' ' 114' ' ' MET . . . -55.27 147.28 37.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.788 176.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.58 13.36 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.092 2.528 . . . . 0.0 113.883 -174.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.1 m -134.58 150.58 30.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 0.0 109.867 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.667 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 24.4 m-20 -99.18 169.02 9.68 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.385 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.05 -33.23 67.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.12 83.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.355 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.667 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 33.2 m95 -63.89 -35.41 80.57 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.749 0.309 . . . . 0.0 110.53 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 70.0 mtp -66.26 -49.03 68.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.804 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 50.4 m -53.56 -50.1 66.26 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.472 0.482 . . . . 0.0 112.075 -174.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -73.29 -36.55 66.31 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.689 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -66.72 -45.32 79.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.064 0.459 . . . . 0.0 110.007 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.09 -38.99 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.56 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 50.9 t-20 -47.88 -58.1 4.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.103 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -66.53 -47.15 73.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.257 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -60.98 -52.09 66.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.435 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.566 ' O ' ' HG2' ' A' ' 137' ' ' MET . 57.9 m -69.72 -37.13 76.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.79 -174.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 130' ' ' ASN . 88.7 mtt-85 -60.4 -35.0 74.73 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.408 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 26.9 m -66.47 -42.4 87.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.229 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -70.76 -34.52 71.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 133' ' ' SER . 30.4 mmt -61.05 -43.05 99.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.21 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.97 93.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.451 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.64 -51.24 70.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.458 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.19 -42.56 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.839 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.549 ' HG3' HG23 ' A' ' 11' ' ' ILE . 75.7 ttt180 -61.66 -51.5 68.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.952 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -21.52 62.48 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -177.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -86.78 -52.6 5.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.167 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.9 mt -63.67 -45.74 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.589 0.233 . . . . 0.0 111.436 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.8 -33.08 75.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.03 0.443 . . . . 0.0 110.129 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -70.11 -45.7 66.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.114 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.85 83.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.609 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -72.28 -19.88 61.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.4 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -87.1 -23.47 40.94 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.076 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 120.468 0.175 . . . . 0.0 110.643 -179.476 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.6 116.26 4.62 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.383 -174.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -105.82 81.9 1.72 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -101.53 143.16 31.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -132.06 97.51 4.17 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.428 HD21 ' HG3' ' A' ' 134' ' ' ARG . 6.4 t-20 -103.22 106.9 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.546 -173.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -98.5 122.24 41.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.509 HG21 ' HB3' ' A' ' 137' ' ' MET . 7.1 tp -120.94 126.49 75.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.207 0.527 . . . . 0.0 110.22 176.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.544 HG23 HG22 ' A' ' 105' ' ' VAL . 17.7 m -89.47 116.78 27.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.82 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.489 HG23 ' HG3' ' A' ' 141' ' ' ARG . 50.2 mt -111.83 125.85 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . . . -74.67 -13.94 60.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.994 0.426 . . . . 0.0 111.284 -172.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.477 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -60.28 141.38 90.99 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.219 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.0 Cg_endo -59.13 142.74 99.64 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.918 2.412 . . . . 0.0 112.029 177.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 81.1 mtp -54.65 -29.79 53.45 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.895 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -50.61 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.715 0.634 . . . . 0.0 111.298 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.639 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 24.2 tp -66.04 -27.46 68.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.376 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.53 ' HA ' HD11 ' A' ' 144' ' ' ILE . 83.8 t -59.99 -60.99 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -58.19 -39.97 80.31 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 109.833 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.639 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 18.0 m -58.07 -42.81 86.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.324 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' HG13 ' A' ' 144' ' ' ILE . 92.8 mtp -91.14 -33.47 15.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.1 p -69.72 -31.21 69.09 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.471 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 38.8 m-80 -86.56 -15.87 38.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.561 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -79.89 94.38 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.552 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 19.2 pt -75.23 -16.22 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.464 -172.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -81.81 -1.52 47.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.145 0.497 . . . . 0.0 110.382 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -109.6 -3.19 17.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.753 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 20.4 m0 -54.83 -49.83 89.5 Favored Pre-proline 0 CA--C 1.532 0.268 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.78 -23.46 41.76 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.985 1.79 . . . . 0.0 113.153 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.88 -37.29 30.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.348 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -92.33 -46.75 7.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.872 0.368 . . . . 0.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -101.83 102.79 13.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.735 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.7 m -90.91 90.52 7.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.715 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -169.27 -49.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.367 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -72.57 149.69 43.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.077 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.33 -75.15 0.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.429 ' OG ' ' HB ' ' A' ' 53' ' ' THR . 4.6 p -114.89 122.32 45.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.315 0.579 . . . . 0.0 111.577 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG11 ' HB ' ' A' ' 25' ' ' ILE . 66.7 t -98.81 104.51 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.302 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -102.89 127.89 49.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.3 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.509 HG22 HD11 ' A' ' 25' ' ' ILE . 21.9 t -91.44 106.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -79.72 -23.1 42.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.262 0.553 . . . . 0.0 110.085 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.31 172.65 27.84 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -152.03 153.12 33.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.118 0.459 . . . . 0.0 110.594 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -123.72 74.46 1.27 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.594 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.4 t0 57.2 -80.66 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.495 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.74 -29.9 25.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 0.0 110.726 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HG2' HG22 ' A' ' 70' ' ' VAL . 94.0 mttt -88.34 141.04 28.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.988 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.4 p -130.3 116.02 34.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.402 0.62 . . . . 0.0 109.846 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -97.0 97.88 9.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.16 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 50.6 p90 -115.59 151.22 35.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.105 0.478 . . . . 0.0 110.756 -178.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.551 ' HD3' ' HB3' ' A' ' 64' ' ' SER . 32.0 ttm180 -106.87 120.09 41.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.6 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.5 mt -83.82 94.67 8.25 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.429 ' HB ' ' OG ' ' A' ' 37' ' ' SER . 26.5 m -87.33 102.44 14.52 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.552 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 167.99 18.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.328 -176.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -72.62 147.97 89.84 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -43.99 129.73 7.83 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.16 2.573 . . . . 0.0 113.082 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.13 163.02 28.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.162 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.1 -31.68 61.41 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 123.132 0.27 . . . . 0.0 111.309 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.78 -34.53 78.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.411 0.624 . . . . 0.0 110.701 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.23 -13.29 12.49 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.741 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -80.58 164.97 22.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.444 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.57 125.65 68.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.222 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -89.82 111.73 22.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.205 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.551 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 18.0 m -129.4 110.61 12.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.395 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.566 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 48.0 p90 -125.95 140.77 52.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 111.518 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.6 t -85.76 133.16 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.042 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 16.2 m -126.16 128.48 47.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.14 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.01 120.0 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.374 -0.376 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.471 ' NH1' ' HA ' ' A' ' 23' ' ' ASN . 50.0 ttp180 -119.8 133.9 55.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.712 -177.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.456 HG22 ' HG2' ' A' ' 47' ' ' LYS . 41.7 t -119.25 126.24 75.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.25 114.25 26.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.132 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -115.6 110.26 44.87 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.23 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.8 -10.86 20.05 Favored 'Trans proline' 0 CA--C 1.527 0.145 0 C-N-CA 122.84 2.36 . . . . 0.0 113.452 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.2 t -76.56 -55.19 11.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.069 0.462 . . . . 0.0 110.058 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.0 p -82.07 -8.97 59.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.009 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 58.94 38.48 24.34 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.385 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.1 m -126.7 128.24 46.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.487 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.53 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 57.9 t -115.77 112.34 39.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.305 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -96.59 123.74 40.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.421 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.47 100.87 8.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.858 0.361 . . . . 0.0 110.283 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -95.58 124.83 39.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.245 0.545 . . . . 0.0 110.212 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -100.55 111.48 23.73 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.5 t -72.64 -51.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.035 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 36.6 mt-10 -92.09 120.97 33.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.276 177.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 2.9 m -141.17 2.99 1.74 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.022 0.439 . . . . 0.0 111.285 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.68 -116.29 4.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.874 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.68 -10.72 29.71 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.97 2.446 . . . . 0.0 112.666 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.555 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 62.7 m-85 -89.95 140.69 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.842 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -73.13 -44.31 60.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.185 0.517 . . . . 0.0 109.828 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -161.75 149.17 14.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.925 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 51.3 ttm -144.71 112.81 6.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.964 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -105.92 117.59 34.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.004 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.9 108.46 25.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.555 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 41.9 t -100.9 119.2 48.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.784 0.326 . . . . 0.0 111.263 -177.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 34.9 m0 -97.67 98.26 9.72 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -98.02 119.52 36.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.94 0.4 . . . . 0.0 110.174 177.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -95.12 116.98 29.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.88 114.04 27.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.033 0.444 . . . . 0.0 111.163 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.4 111.25 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.252 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.0 m -130.9 154.8 47.72 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.61 -16.21 58.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 110.527 -177.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -86.67 -6.79 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.281 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 12' ' ' ALA . . . 134.84 -169.44 23.23 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.103 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.7 m -84.98 107.58 17.18 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.942 0.401 . . . . 0.0 110.025 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.544 HG22 HG23 ' A' ' 10' ' ' THR . 69.3 t -88.71 103.05 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 35.6 ttp -94.33 122.04 36.47 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.188 0.518 . . . . 0.0 110.011 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -103.78 109.77 21.61 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.826 -175.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -88.38 90.41 8.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.979 0.419 . . . . 0.0 110.555 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.555 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 7.9 m -83.98 102.52 12.51 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.518 175.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -104.92 108.99 20.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.043 0.449 . . . . 0.0 110.254 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -110.2 108.09 18.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.459 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -135.33 162.74 31.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.897 0.38 . . . . 0.0 111.008 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -143.58 137.6 28.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.769 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 21.4 ptm -147.77 157.51 43.57 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.313 0.383 . . . . 0.0 110.246 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.507 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 53.7 mtpt -149.62 -49.9 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.507 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 71.4 Cg_exo -51.73 107.71 0.2 Allowed 'Trans proline' 0 C--N 1.365 1.432 0 C-N-CA 122.381 2.054 . . . . 0.0 113.561 -176.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.472 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 65.9 m-20 57.67 30.94 19.65 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.733 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.93 107.42 22.59 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.379 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 41.9 Cg_endo -92.52 17.05 1.29 Allowed 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 123.123 2.549 . . . . 0.0 111.81 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.501 HG21 ' SD ' ' A' ' 125' ' ' MET . 28.3 m -96.54 130.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.113 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -93.59 66.28 3.81 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.6 t70 61.68 -79.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.1 175.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.94 -13.41 62.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.947 -172.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -61.38 -45.53 93.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.277 0.56 . . . . 0.0 109.584 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 120' ' ' VAL . 80.5 mtp -79.58 -35.71 39.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.366 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.5 m -57.14 -41.33 78.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.5 -43.43 63.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 109.884 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -59.3 -41.48 89.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.769 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 125' ' ' MET . 61.5 mt -60.74 -46.72 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.713 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -53.54 -45.53 69.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -66.72 -60.21 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.9 -48.64 80.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.935 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 137' ' ' MET . 60.6 m -66.31 -38.61 88.1 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.428 ' HG3' HD21 ' A' ' 7' ' ' ASN . 74.7 mtm180 -59.82 -42.2 92.99 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.373 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.7 m -68.15 -41.9 80.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.966 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 140' ' ' ILE . 7.5 tp-100 -68.14 -43.45 78.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.804 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 133' ' ' SER . 80.5 mmm -67.7 -33.82 75.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.339 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.99 93.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.31 -50.17 74.07 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.114 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.439 HD12 ' SD ' ' A' ' 137' ' ' MET . 68.3 mt -58.75 -47.44 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.44 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.489 ' HG3' HG23 ' A' ' 11' ' ' ILE . 49.1 ttt180 -57.05 -51.0 71.03 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.42 -29.66 64.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.986 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -82.26 -50.49 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.7 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.53 HD11 ' HA ' ' A' ' 18' ' ' VAL . 16.5 tt -71.69 -33.77 49.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 111.495 -175.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -73.03 -33.63 65.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 150' ' ' GLU . 39.1 tt0 -62.13 -48.72 78.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.191 171.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.63 73.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.244 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.16 94.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.704 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -71.57 -20.78 78.67 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.167 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 146' ' ' GLN . 47.2 mt-10 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.038 0.447 . . . . 0.0 110.207 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.922 0.391 . . . . 0.0 110.126 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.15 107.12 3.29 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.974 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -92.15 92.15 8.1 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -113.88 136.04 53.31 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -168.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.84 102.64 9.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.826 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.607 ' ND2' ' HB2' ' A' ' 133' ' ' SER . 14.1 t-20 -96.2 120.61 36.81 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 17.5 mt-10 -118.34 149.77 40.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.606 -168.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 138' ' ' ALA . 19.2 tt -154.14 135.45 5.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.788 169.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 27.2 m -86.2 122.15 29.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.585 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 mt -108.01 123.33 63.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.179 0.514 . . . . 0.0 110.596 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.14 64.68 8.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.38 0.609 . . . . 0.0 110.301 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.9 149.51 36.15 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.986 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.12 146.86 95.26 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.587 2.191 . . . . 0.0 111.814 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.7 mtp -62.12 -26.11 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.299 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -55.49 -68.75 0.17 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.242 0.339 . . . . 0.0 110.471 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.429 HD11 ' HB3' ' A' ' 147' ' ' ALA . 2.4 tm? -51.55 -43.8 62.49 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.154 0.581 . . . . 0.0 111.282 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.54 -54.82 27.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 120.832 0.348 . . . . 0.0 111.426 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -61.35 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.527 0.68 . . . . 0.0 109.667 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -59.01 -42.38 89.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.614 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.632 ' HG2' HG12 ' A' ' 144' ' ' ILE . 8.2 tpt -63.91 -37.73 88.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.907 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.7 p -84.96 -17.48 37.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.839 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.445 ' ND2' HH22 ' A' ' 69' ' ' ARG . 10.9 m-80 -73.11 -43.54 61.56 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.896 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.929 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 76.5 m-20 -77.53 82.86 3.95 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 173.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.553 HD11 HG22 ' A' ' 40' ' ' VAL . 19.2 pt -64.75 -11.88 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.14 -175.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -82.66 4.31 25.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.726 0.298 . . . . 0.0 111.044 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.929 ' HE2' ' HB2' ' A' ' 24' ' ' ASP . 50.1 mttm -85.22 -21.6 29.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.202 0.525 . . . . 0.0 109.64 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.525 ' HB2' HG21 ' A' ' 38' ' ' VAL . 49.7 m0 -56.97 -44.58 99.84 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.783 -176.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 49.3 Cg_exo -57.95 -25.4 69.84 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.876 1.717 . . . . 0.0 112.568 175.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.71 -38.11 21.19 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.872 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.6 ' HG ' ' HG3' ' A' ' 143' ' ' ARG . 11.0 mp -79.9 -56.33 4.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.802 0.334 . . . . 0.0 110.785 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -76.23 168.87 19.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.732 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.1 m -115.54 -39.35 3.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.4 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.55 -31.39 68.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.595 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -76.69 122.4 24.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.84 -29.34 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.481 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -163.34 143.31 8.78 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.978 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.525 HG21 ' HB2' ' A' ' 28' ' ' TRP . 99.3 t -109.88 92.0 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.13 113.87 25.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.082 -169.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.553 HG22 HD11 ' A' ' 25' ' ' ILE . 34.4 t -71.72 119.6 18.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.251 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 51' ' ' ARG . 91.4 mt -90.1 -24.02 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.003 0.43 . . . . 0.0 110.524 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.96 169.48 31.51 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.014 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -140.96 150.25 42.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.917 0.389 . . . . 0.0 110.789 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 32.2 t70 -143.15 56.69 1.39 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.354 177.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t70 59.96 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.201 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -68.93 -29.63 67.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.085 0.469 . . . . 0.0 110.332 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 44' ' ' ASP . 52.8 mttm -103.48 137.93 40.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.268 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 69' ' ' ARG . 5.8 p -133.75 109.43 13.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.554 0.692 . . . . 0.0 109.355 167.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 m -91.83 122.87 34.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.404 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -129.5 149.4 51.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.28 0.562 . . . . 0.0 111.12 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HB2' HD11 ' A' ' 41' ' ' LEU . 41.6 ttt180 -101.33 118.77 37.65 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.827 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.524 ' O ' ' HA ' ' A' ' 64' ' ' SER . 22.7 mt -86.7 100.86 12.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.227 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 m -99.15 114.51 27.3 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.735 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.4 mtp -97.07 -177.51 3.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.164 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -77.28 147.22 75.76 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.16 138.64 86.99 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.6 2.2 . . . . 0.0 111.766 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -76.21 -175.21 3.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.58 -29.84 70.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.662 0.267 . . . . 0.0 111.711 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -78.35 -25.33 46.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.994 0.426 . . . . 0.0 110.454 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.98 -6.26 13.39 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.779 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -72.67 124.41 25.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.832 0.349 . . . . 0.0 110.771 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.1 t -87.77 103.96 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -71.77 128.29 35.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.429 0.633 . . . . 0.0 111.621 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 24.0 m -146.06 142.74 28.87 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.999 178.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.2 p90 -147.59 162.87 38.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.925 0.393 . . . . 0.0 110.949 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -98.75 127.91 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.696 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -132.46 154.63 49.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.395 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -120.1 124.96 47.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.202 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.594 ' HB3' HG13 ' A' ' 48' ' ' VAL . 51.2 ttt-85 -102.22 120.14 39.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.005 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.0 t -110.82 130.04 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.06 112.14 24.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.738 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -107.73 99.4 29.45 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.746 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.3 -19.38 19.75 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.147 2.565 . . . . 0.0 112.699 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.22 -44.98 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.221 0.534 . . . . 0.0 110.094 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m -89.09 -5.49 57.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.419 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 58.9 46.4 13.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.773 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.431 ' CG2' HG13 ' A' ' 94' ' ' VAL . 90.7 m -131.38 131.26 43.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.626 -173.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 76.2 t -102.62 102.42 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 169.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -92.13 112.26 24.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.545 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.29 103.43 12.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.43 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -101.21 141.5 33.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HD2' ' SD ' ' A' ' 91' ' ' MET . 12.2 ttt-85 -83.8 107.04 15.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.31 -44.51 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.266 0.555 . . . . 0.0 110.523 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -100.41 141.24 33.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 65.9 p -96.81 -168.88 1.78 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.969 0.414 . . . . 0.0 111.073 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -177.95 -113.22 0.35 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.71 -18.1 42.31 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.599 2.2 . . . . 0.0 110.829 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -105.31 147.22 28.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.807 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -88.26 -35.47 17.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.824 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.457 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 89.3 t80 -148.59 126.56 11.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.67 -175.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.539 ' SD ' ' HD2' ' A' ' 82' ' ' ARG . 79.3 mtp -133.48 105.77 7.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -122.21 101.97 7.85 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.535 HG12 ' HG3' ' A' ' 110' ' ' GLN . 15.0 mt -94.95 104.87 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.236 0.541 . . . . 0.0 109.964 -177.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.594 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 95.1 t -93.95 103.67 14.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.887 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.585 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 12.7 m0 -86.97 97.56 10.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.906 178.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.486 ' HG3' HG12 ' A' ' 94' ' ' VAL . 43.9 mt-10 -95.7 136.59 35.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.824 0.345 . . . . 0.0 110.763 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.541 ' HE2' HG23 ' A' ' 78' ' ' VAL . 63.8 m-85 -114.53 115.58 27.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.482 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.17 139.33 40.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.397 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.83 99.56 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.598 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 m -113.32 156.77 22.79 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.757 0.313 . . . . 0.0 110.2 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.85 6.81 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.987 0.422 . . . . 0.0 111.632 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -114.0 -2.52 13.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.939 176.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.6 -169.28 20.82 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.853 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 m -84.47 106.56 16.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 94.1 t -83.76 116.57 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.882 0.372 . . . . 0.0 110.341 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 51.5 ttp -97.05 122.19 39.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.704 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.444 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 17.8 mtm180 -115.1 117.69 31.26 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.084 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -86.81 88.49 7.69 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.594 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 76.6 m -81.52 88.06 6.2 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.332 176.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.535 ' HG3' HG12 ' A' ' 93' ' ' ILE . 53.1 tt0 -92.07 102.29 14.83 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.674 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -89.74 94.27 9.77 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.531 ' HD1' ' HG2' ' A' ' 110' ' ' GLN . 52.3 p90 -116.38 121.86 43.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.781 0.801 . . . . 0.0 111.443 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -97.97 125.25 42.82 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.858 174.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 86.7 mmm -83.93 148.63 26.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.515 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.45 ' HB3' ' OD2' ' A' ' 117' ' ' ASP . 3.5 mmmp? -74.78 131.95 78.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 50.3 Cg_exo -56.75 -5.01 1.02 Allowed 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 123.601 2.868 . . . . 0.0 113.159 177.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' A' ' 115' ' ' LYS . 8.2 m-20 -70.7 -28.43 64.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.118 175.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.486 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -95.57 139.9 22.13 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.132 -176.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 3.2 Cg_endo -87.01 21.7 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.604 2.869 . . . . 0.0 113.033 -177.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.0 m -92.3 121.91 43.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.256 0.551 . . . . 0.0 110.033 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -100.85 76.95 1.82 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.478 -169.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 60.35 -79.17 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 O-C-N 124.046 0.841 . . . . 0.0 112.017 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.46 ' HA ' ' HB ' ' A' ' 126' ' ' THR . . . -59.03 -23.97 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.374 -173.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -56.15 -58.47 7.78 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.374 0.607 . . . . 0.0 109.586 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.634 ' O ' HG12 ' A' ' 129' ' ' ILE . 96.4 mmm -69.52 -42.38 74.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.394 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.46 ' HB ' ' HA ' ' A' ' 123' ' ' ALA . 94.1 m -55.84 -42.97 76.56 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.08 -35.63 74.33 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.584 -0.446 . . . . 0.0 109.958 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -62.2 -37.24 84.54 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.288 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.634 HG12 ' O ' ' A' ' 125' ' ' MET . 46.3 mm -54.35 -53.82 26.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -52.12 -56.47 14.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.01 -62.1 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.937 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -63.2 -56.0 20.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.648 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.607 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 16.6 m -62.53 -49.57 74.79 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.648 -174.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -64.95 -33.44 76.03 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.386 -172.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.7 m -61.26 -47.82 84.29 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.359 0.6 . . . . 0.0 110.152 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.415 ' O ' HG13 ' A' ' 140' ' ' ILE . 98.0 mt-30 -69.06 -36.15 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.964 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.502 ' HG3' ' O ' ' A' ' 133' ' ' SER . 90.5 mtp -66.79 -33.22 75.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.401 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . . . -61.7 -41.76 98.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.9 tt -63.65 -40.48 96.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.064 175.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 136' ' ' GLN . 83.8 mt -66.63 -41.71 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.804 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 141' ' ' ARG . 6.3 tmm_? -58.95 -41.57 87.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.984 177.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.96 -47.48 84.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.569 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.6 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 18.9 mmt180 -62.41 -40.71 97.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.695 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.632 HG12 ' HG2' ' A' ' 21' ' ' MET . 37.6 mt -67.13 -41.66 87.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.544 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.11 -33.45 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 110.202 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -58.86 -54.46 46.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.065 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.429 ' HB3' HD11 ' A' ' 17' ' ' LEU . . . -66.37 -33.09 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.387 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.57 -34.13 69.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.991 0.424 . . . . 0.0 110.793 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -66.22 -24.63 72.07 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.527 173.78 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.27 176.53 19.3 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.89 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.671 ' HB3' ' HA ' ' A' ' 111' ' ' ASP . 2.0 p-80 -151.28 133.8 15.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.045 0.45 . . . . 0.0 111.063 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.454 ' OG1' ' HA ' ' A' ' 126' ' ' THR . 7.2 m -106.03 119.59 39.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.376 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.19 98.52 10.52 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -101.7 96.75 7.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.603 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 0.7 OUTLIER -104.45 151.21 23.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.852 0.358 . . . . 0.0 111.226 -176.12 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.552 HG21 ' HB3' ' A' ' 137' ' ' MET . 13.5 tt -151.65 137.19 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.711 173.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.2 m -85.18 116.82 23.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.908 0.385 . . . . 0.0 110.768 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.542 HG22 ' H ' ' A' ' 13' ' ' ALA . 35.6 mt -105.26 130.51 56.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.4 59.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.006 0.431 . . . . 0.0 111.659 -173.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.542 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -71.48 141.64 85.67 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.545 ' HB2' HD13 ' A' ' 17' ' ' LEU . 46.6 Cg_exo -57.23 149.27 65.18 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.945 2.43 . . . . 0.0 112.399 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mtp -59.49 -41.81 90.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.535 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.527 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 1.6 pm0 -69.44 -30.95 68.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.033 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 14' ' ' PRO . 11.2 mp -73.65 -38.86 64.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.46 . . . . 0.0 109.798 176.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.456 ' HA ' HD11 ' A' ' 144' ' ' ILE . 70.7 t -63.69 -40.69 89.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.895 173.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.427 ' HD1' HD21 ' A' ' 23' ' ' ASN . 17.8 t-105 -64.44 -50.94 65.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.929 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.448 HG22 ' HA ' ' A' ' 17' ' ' LEU . 15.3 t -64.64 -31.25 72.39 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.708 0.29 . . . . 0.0 111.053 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.2 mmm -72.11 -37.22 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.663 0.268 . . . . 0.0 111.218 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -82.36 -15.77 51.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.588 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.427 HD21 ' HD1' ' A' ' 19' ' ' TRP . 97.8 m-20 -74.45 -34.39 63.17 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 110.55 176.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -87.56 84.23 7.15 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.603 HD11 HG22 ' A' ' 40' ' ' VAL . 32.5 pt -71.33 -8.98 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.587 -171.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -73.29 -6.65 47.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.764 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -97.94 -10.72 24.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.53 ' HB2' HG21 ' A' ' 38' ' ' VAL . 37.2 m0 -55.39 -46.82 99.64 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 47.5 Cg_exo -57.83 -19.78 40.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.281 1.988 . . . . 0.0 113.099 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.83 -18.83 57.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.303 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.499 ' HG ' ' CB ' ' A' ' 143' ' ' ARG . 10.1 mp -104.58 -53.8 2.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.085 0.469 . . . . 0.0 110.357 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 34' ' ' GLU . 6.0 t80 -93.47 99.4 11.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.6 m -68.51 -2.66 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -171.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 7.7 mm-40 -84.14 -19.82 33.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.987 0.422 . . . . 0.0 110.85 178.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -87.49 132.92 33.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.221 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.14 -49.48 6.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.9 p -148.43 115.84 6.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.877 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.53 HG21 ' HB2' ' A' ' 28' ' ' TRP . 91.3 t -90.22 104.53 15.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 173.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -108.55 129.45 55.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.203 -168.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.603 HG22 HD11 ' A' ' 25' ' ' ILE . 38.1 t -76.97 118.52 23.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.857 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.6 tp -84.49 -39.08 19.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.0 156.27 15.44 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.658 ' HB3' HG23 ' A' ' 48' ' ' VAL . 20.3 ptt180 -151.0 141.17 22.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.773 0.787 . . . . 0.0 112.12 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -117.46 58.07 0.8 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.941 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 61.82 -83.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.925 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.98 -31.14 58.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.323 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -108.97 108.67 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.713 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.658 HG23 ' HB3' ' A' ' 43' ' ' ARG . 4.2 p -125.92 122.3 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 111.699 -175.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 m -95.37 116.64 29.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.517 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -121.88 143.33 49.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.607 0.718 . . . . 0.0 111.803 -174.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -97.49 113.42 25.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.745 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 64' ' ' SER . 55.2 mt -90.98 99.0 12.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.513 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.0 m -91.78 109.0 20.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.513 174.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.8 mmm -81.65 172.92 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.427 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -67.24 133.64 93.37 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 175.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.48 119.23 4.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.998 2.466 . . . . 0.0 111.885 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -75.45 168.09 20.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.142 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.8 -20.1 65.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.963 0.411 . . . . 0.0 111.027 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.29 -23.97 64.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.524 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.84 -26.31 24.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.946 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -70.73 125.38 26.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.993 0.425 . . . . 0.0 110.22 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.77 113.16 19.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.635 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -78.58 109.35 12.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.115 0.484 . . . . 0.0 110.51 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 22.8 t -135.53 123.18 22.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.545 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -131.28 155.25 47.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.114 0.483 . . . . 0.0 111.177 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -94.33 127.48 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.775 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.401 ' HA ' ' H ' ' A' ' 83' ' ' VAL . 19.8 m -133.19 162.16 32.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -131.05 132.51 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.165 0.507 . . . . 0.0 110.999 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -108.85 112.7 25.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.364 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.47 116.46 38.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.34 130.16 56.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.818 0.342 . . . . 0.0 111.702 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -103.12 101.56 22.64 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.49 -34.22 76.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.746 2.298 . . . . 0.0 112.315 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.1 t -75.39 -51.65 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.85 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 m -73.23 -19.88 60.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.053 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 61.74 48.7 5.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.634 0.73 . . . . 0.0 109.928 -177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -137.75 139.33 40.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.886 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 45.8 t -123.42 136.12 61.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.906 0.384 . . . . 0.0 110.969 -178.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -117.14 107.17 14.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.52 94.35 5.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.18 0.514 . . . . 0.0 110.153 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -100.19 137.21 38.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.445 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -84.85 112.54 20.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.825 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.401 ' H ' ' HA ' ' A' ' 67' ' ' SER . 25.7 t -56.81 -42.18 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.937 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -107.19 115.29 29.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.487 174.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.481 HG22 ' HB2' ' A' ' 91' ' ' MET . 10.3 p -83.85 -41.1 17.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.928 -175.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.417 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 84.76 -118.39 4.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.074 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.417 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 6.7 Cg_exo -74.25 -7.82 20.17 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.166 2.578 . . . . 0.0 112.396 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -93.44 162.99 13.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -95.84 -36.56 11.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -146.34 139.1 25.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.964 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.481 ' HB2' HG22 ' A' ' 85' ' ' THR . 70.7 mmm -140.23 104.1 4.74 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.694 0.283 . . . . 0.0 111.061 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -133.12 109.74 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.239 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 110' ' ' GLN . 16.4 mt -101.44 104.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.927 0.394 . . . . 0.0 110.18 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.1 t -89.72 115.05 28.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.673 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.585 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 25.4 m0 -95.63 94.13 7.55 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.551 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 46.1 mt-10 -88.77 116.11 26.8 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.956 0.407 . . . . 0.0 110.095 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -93.55 118.9 31.94 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.541 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.61 117.61 34.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.127 0.489 . . . . 0.0 111.03 -173.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.66 97.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.46 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.0 m -115.81 153.78 30.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.863 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.94 -21.6 64.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.81 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -91.79 -6.02 52.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.01 -169.13 24.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.32 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -89.4 107.97 19.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.658 0.266 . . . . 0.0 110.565 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 86.0 t -82.84 107.61 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 53.4 ttp -90.51 117.0 28.86 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.927 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.603 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 37.0 mtp85 -107.49 110.96 23.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.031 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -97.78 92.14 5.71 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.0 m -95.7 100.51 12.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.138 0.494 . . . . 0.0 110.187 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.569 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 51.7 tt0 -89.98 106.1 18.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.331 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.671 ' HA ' ' HB3' ' A' ' 4' ' ' HIS . 20.2 t70 -93.12 114.31 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.643 ' HE2' ' HA ' ' A' ' 122' ' ' ASP . 37.8 p90 -133.5 135.42 44.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.267 0.556 . . . . 0.0 111.065 -174.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -105.43 125.52 51.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.91 176.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 62.0 mtp -127.65 171.79 11.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.109 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.653 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 51.4 tttm 176.77 -45.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.734 -176.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 1.7 Cg_endo -43.88 171.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.365 1.438 0 C-N-CA 123.327 2.685 . . . . 0.0 114.049 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -70.93 17.6 0.07 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.367 -1.288 . . . . 0.0 113.181 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -65.37 128.16 93.55 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 26.9 Cg_exo -63.02 -16.5 54.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.055 2.504 . . . . 0.0 113.279 -175.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.623 HG12 ' HD1' ' A' ' 124' ' ' TRP . 16.1 m -91.69 126.28 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.222 0.534 . . . . 0.0 110.472 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.35 168.24 12.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.643 ' HA ' ' HE2' ' A' ' 112' ' ' PHE . 4.9 p-10 -59.02 -34.86 72.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.932 0.396 . . . . 0.0 110.088 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.41 80.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.623 ' HD1' HG12 ' A' ' 120' ' ' VAL . 19.8 t-105 -69.78 -39.57 76.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.749 0.309 . . . . 0.0 110.502 -176.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.519 ' O ' HG13 ' A' ' 129' ' ' ILE . 35.2 mtp -69.05 -27.33 65.55 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.82 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.454 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 84.5 m -60.72 -44.66 96.34 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.33 -39.52 94.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.73 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -61.58 -44.79 96.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.721 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 125' ' ' MET . 79.7 mt -62.94 -40.46 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.632 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -52.75 -62.01 1.92 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -58.56 -67.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.316 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -66.07 -52.57 47.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.007 -170.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.68 ' O ' ' HG2' ' A' ' 137' ' ' MET . 24.2 m -62.93 -40.62 98.18 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.605 -174.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -68.12 -32.87 73.47 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.548 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 62.1 m -65.75 -40.59 92.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.476 ' O ' HG13 ' A' ' 140' ' ' ILE . 83.4 mm-40 -63.87 -37.6 87.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.499 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.68 ' HG2' ' O ' ' A' ' 133' ' ' SER . 18.7 mmt -61.26 -39.21 89.51 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.754 178.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.95 81.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.061 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.1 tp -71.64 -46.64 58.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.785 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 144' ' ' ILE . 75.2 mt -61.63 -49.56 83.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.64 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.405 ' HA ' HG22 ' A' ' 144' ' ' ILE . 79.6 ttt180 -57.54 -45.11 85.46 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -53.12 -38.25 62.49 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.589 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.499 ' CB ' ' HG ' ' A' ' 31' ' ' LEU . 6.7 mmp_? -86.32 -51.03 6.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.802 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 140' ' ' ILE . 15.8 tt -69.43 -37.09 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -171.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -73.23 -29.46 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.159 0.504 . . . . 0.0 109.898 -177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -70.44 -50.84 34.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.996 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.71 97.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.578 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -82.68 -6.95 59.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.927 0.394 . . . . 0.0 111.267 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -91.43 -46.89 3.65 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 173.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.533 177.003 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.975 0.416 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.54 152.37 16.92 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -121.91 111.29 16.9 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -105.58 111.55 24.29 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -94.67 87.73 5.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.4 . . . . 0.0 110.899 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.438 HD21 HG22 ' A' ' 129' ' ' ILE . 85.9 m-20 -82.93 93.38 7.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.066 177.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.418 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 40.7 mt-10 -104.87 131.7 52.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.426 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.497 HD11 ' HD2' ' A' ' 141' ' ' ARG . 17.2 tt -140.22 132.89 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 0.0 110.523 176.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 m -85.78 107.63 17.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.563 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 13' ' ' ALA . 53.0 mt -90.0 133.95 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.53 17.75 1.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.839 0.352 . . . . 0.0 111.895 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -107.52 149.86 39.37 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HB2' HD13 ' A' ' 17' ' ' LEU . 39.4 Cg_exo -57.27 140.53 93.19 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.846 2.364 . . . . 0.0 112.372 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 73.9 mtp -53.96 -39.0 65.56 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.519 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -59.97 -42.85 95.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.361 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.617 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.4 mp -75.91 -36.03 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 -178.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.73 -47.74 88.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.281 173.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.483 ' O ' ' HB3' ' A' ' 23' ' ' ASN . 11.2 t-105 -63.94 -54.13 39.44 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.617 HG22 ' HA ' ' A' ' 17' ' ' LEU . 11.0 t -59.23 -33.76 71.39 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -174.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.8 mmm -76.52 -43.24 40.17 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.461 0.172 . . . . 0.0 111.44 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.2 p -77.97 -18.12 56.37 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.338 0.59 . . . . 0.0 110.678 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.512 ' HA ' HH22 ' A' ' 69' ' ' ARG . 0.0 OUTLIER -72.8 -33.8 66.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.525 174.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -81.76 93.61 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.257 0.551 . . . . 0.0 109.724 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.631 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 15.8 pt -70.43 -15.39 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.789 -174.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -77.43 -0.95 27.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.984 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -119.21 5.45 11.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.377 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.631 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 43.4 m0 -61.62 -46.81 93.75 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.994 176.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 31.3 Cg_exo -61.12 -14.24 32.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.302 2.001 . . . . 0.0 112.512 177.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.91 -32.25 53.75 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.752 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mp -98.32 -46.28 5.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.402 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -98.21 106.93 19.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.573 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m -79.25 8.91 5.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -86.73 -6.9 58.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.675 0.274 . . . . 0.0 111.205 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -124.19 147.38 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.964 0.411 . . . . 0.0 110.741 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.442 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . . . -92.09 -42.44 9.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.582 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.7 t -152.06 153.93 34.94 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.546 -177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG11 ' HB ' ' A' ' 25' ' ' ILE . 69.3 t -115.91 116.62 52.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.754 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 33.5 tt0 -93.67 108.38 20.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.425 -173.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 25' ' ' ILE . 22.1 t -78.49 100.25 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.919 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.429 HD12 HG22 ' A' ' 49' ' ' THR . 92.7 mt -70.63 -42.15 71.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.131 0.491 . . . . 0.0 110.076 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.69 168.37 19.28 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.191 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 79.0 mtt180 -94.65 122.13 36.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.895 0.379 . . . . 0.0 110.087 177.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -93.62 84.6 4.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.6 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 68.03 -79.08 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.603 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -121.57 -6.17 9.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.672 0.749 . . . . 0.0 109.654 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.689 ' HG2' HG22 ' A' ' 70' ' ' VAL . 27.2 mttp -99.62 173.02 6.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.544 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 5.2 p -138.15 122.95 22.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.084 0.469 . . . . 0.0 110.05 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.519 HG23 ' HG2' ' A' ' 68' ' ' GLU . 16.6 m -93.65 116.06 28.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.296 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 67' ' ' SER . 13.3 p90 -119.07 133.59 55.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.754 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 45.7 ttt180 -110.43 99.33 8.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.937 -176.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 65' ' ' TRP . 5.4 mp -73.86 119.04 17.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.933 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 m -100.38 116.86 33.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.626 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 63.0 mtt -86.47 -179.91 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.655 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.442 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 47.3 m80 -80.66 137.47 51.12 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.526 ' HB3' HG22 ' A' ' 62' ' ' VAL . 9.7 Cg_endo -53.15 109.44 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.042 2.495 . . . . 0.0 111.746 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.06 157.91 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.559 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.45 -19.34 63.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.804 0.335 . . . . 0.0 110.944 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.68 -9.98 59.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.461 0.648 . . . . 0.0 110.37 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.55 29.39 24.42 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.652 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -120.43 118.89 31.47 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.743 0.306 . . . . 0.0 110.377 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.526 HG22 ' HB3' ' A' ' 56' ' ' PRO . 43.9 t -84.87 105.59 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -75.96 128.05 34.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.304 0.573 . . . . 0.0 111.163 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 p -126.86 131.95 51.06 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.494 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.515 ' HB3' ' HB2' ' A' ' 52' ' ' LEU . 9.4 t90 -111.41 119.43 38.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.505 HG22 ' HG3' ' A' ' 51' ' ' ARG . 48.8 t -104.22 110.53 30.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.136 0.493 . . . . 0.0 110.062 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.475 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 23.1 t -127.06 148.87 50.12 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.519 ' HG2' HG23 ' A' ' 49' ' ' THR . 40.5 mt-10 -121.93 126.79 49.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 79' ' ' ARG . 30.5 ptt180 -124.33 142.84 50.95 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.335 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.689 HG22 ' HG2' ' A' ' 47' ' ' LYS . 32.9 t -105.5 114.29 44.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.513 175.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.457 ' HA ' HG22 ' A' ' 78' ' ' VAL . . . -99.82 101.7 12.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.742 0.306 . . . . 0.0 110.56 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 24.5 t70 -99.57 112.16 62.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.267 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 7.7 Cg_exo -73.28 -19.34 22.49 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 123.114 2.543 . . . . 0.0 112.664 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.0 t -70.48 -53.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.076 0.465 . . . . 0.0 110.804 -176.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.7 p -92.35 -7.6 47.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.588 ' HB3' ' HB2' ' A' ' 97' ' ' TYR . 47.5 mtm-85 56.03 49.97 14.67 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.918 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.0 m -130.99 123.07 27.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.114 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 48.7 t -108.78 123.71 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.239 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.615 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 79.7 mtt-85 -105.09 106.47 16.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.47 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.14 105.45 15.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -90.85 130.3 36.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.318 0.58 . . . . 0.0 110.409 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.498 ' HD3' ' SD ' ' A' ' 91' ' ' MET . 34.4 ttt180 -95.7 123.73 39.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.2 t -80.27 -57.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.646 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -58.83 121.87 12.18 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.739 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.606 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 18.9 p -83.51 -85.66 0.12 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.644 -177.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.46 -121.39 6.08 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.64 -20.78 19.92 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.444 2.096 . . . . 0.0 111.493 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.606 ' O ' ' HB ' ' A' ' 85' ' ' THR . 88.5 m-85 -98.12 155.66 17.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.155 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.6 HE21 ' HB2' ' A' ' 115' ' ' LYS . 5.5 tt0 -100.32 -27.56 13.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.405 0.621 . . . . 0.0 109.86 175.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.748 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 54.6 t80 -151.78 135.65 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.142 -173.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.498 ' SD ' ' HD3' ' A' ' 82' ' ' ARG . 67.6 mtp -148.28 109.29 4.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 111.438 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -118.37 116.54 26.95 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.3 mt -102.43 113.36 38.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.036 0.446 . . . . 0.0 110.406 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.49 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 54.8 t -100.27 111.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.737 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.563 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 48.7 m0 -96.87 106.77 19.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.168 177.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 77.1 mt-10 -102.85 129.88 49.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.904 0.383 . . . . 0.0 110.31 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.588 ' HB2' ' HB3' ' A' ' 76' ' ' ARG . 15.4 m-85 -102.44 111.62 23.99 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.74 135.13 47.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.173 0.511 . . . . 0.0 111.297 -173.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.59 126.64 31.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.967 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 m -147.27 156.74 43.2 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.07 -23.5 55.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.05 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -79.75 -25.94 40.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.187 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.01 -169.28 33.61 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.736 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.1 m -85.69 113.19 21.7 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.669 0.271 . . . . 0.0 110.479 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.494 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -89.74 105.36 16.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 37.6 ttp -98.13 123.79 42.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.0 110.126 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.57 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 36.6 ttm-85 -102.72 117.45 34.68 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.354 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -102.76 90.69 3.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.49 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 22.0 m -88.62 106.26 18.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.19 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.52 104.16 16.31 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.334 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -85.9 96.2 9.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 39.7 p90 -117.93 138.76 51.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.897 0.379 . . . . 0.0 110.64 -176.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.748 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -124.38 136.09 53.81 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.95 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.8 mtp -97.38 -167.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.6 ' HB2' HE21 ' A' ' 89' ' ' GLN . 59.5 tttp -170.04 -55.82 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.475 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 30.8 Cg_endo -64.21 -13.12 36.09 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 122.025 1.817 . . . . 0.0 113.875 -175.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 69.94 78.75 0.19 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.609 0.719 . . . . 0.0 110.699 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.89 159.35 60.49 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.836 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.85 -33.59 61.86 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.669 2.246 . . . . 0.0 111.679 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.3 m -82.44 116.77 27.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.793 173.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -75.24 167.94 20.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.538 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.54 -40.9 69.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.542 0.687 . . . . 0.0 109.277 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.52 81.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.32 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -70.47 -36.99 74.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 28.7 mtp -66.92 -35.51 80.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.052 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 84.8 m -57.05 -47.92 79.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.608 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.24 -44.15 84.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.994 0.426 . . . . 0.0 110.683 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -57.53 -46.87 83.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.632 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.438 HG22 HD21 ' A' ' 7' ' ' ASN . 86.0 mt -61.96 -48.04 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.598 177.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.52 -47.39 82.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.203 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -63.55 -51.77 63.97 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.981 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.72 -44.38 93.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.771 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' ' 137' ' ' MET . 23.0 t -66.02 -42.42 89.68 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.645 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -55.47 -38.48 69.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.435 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.3 m -66.82 -50.27 63.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.861 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.05 -40.91 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.741 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 133' ' ' SER . 96.4 mmm -64.88 -31.09 72.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.627 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.7 93.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 109.993 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.73 -47.57 83.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.29 175.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.68 -46.3 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.546 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.497 ' HD2' HD11 ' A' ' 9' ' ' ILE . 49.7 ttt-85 -53.97 -51.53 63.58 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.444 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 33.7 t70 -58.14 -50.03 74.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.248 -177.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -70.66 -27.96 64.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.579 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 14.3 mm -65.54 -42.97 94.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 141' ' ' ARG . 45.9 mt-10 -62.06 -40.9 97.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 176.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 96.2 mt-30 -64.6 -50.98 65.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.34 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.68 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.311 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.536 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -71.62 -28.06 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.728 0.299 . . . . 0.0 110.775 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -75.33 -42.19 28.76 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.629 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.514 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 112' ' ' PHE . . . -109.89 105.15 1.96 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.833 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -94.52 91.72 6.75 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.568 HG23 HG23 ' A' ' 126' ' ' THR . 6.2 m -106.1 112.61 25.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -173.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -96.6 103.72 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.795 0.331 . . . . 0.0 110.345 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 32.7 m-80 -97.09 98.64 10.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -178.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -100.9 143.05 31.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.995 0.426 . . . . 0.0 111.219 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 137' ' ' MET . 12.5 tt -159.96 132.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.373 175.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.0 m -86.5 101.97 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.289 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.491 HD13 HD12 ' A' ' 144' ' ' ILE . 66.8 mt -79.32 132.55 31.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.76 52.9 1.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.981 0.42 . . . . 0.0 112.009 -173.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.49 148.25 36.43 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.875 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.32 144.33 99.5 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.832 2.355 . . . . 0.0 112.082 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.493 ' HG2' HG23 ' A' ' 104' ' ' THR . 83.2 mtp -54.84 -39.16 68.29 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.615 -175.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -57.79 -45.21 86.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.324 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 148' ' ' ALA . 9.6 mp -78.1 -34.47 50.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.548 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.39 -43.93 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.346 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -65.26 -49.86 67.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.699 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 17' ' ' LEU . 12.4 t -64.43 -22.3 66.92 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.027 0.442 . . . . 0.0 111.149 -177.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.6 mmm -84.39 -43.3 14.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.947 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.639 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 32.8 p -90.17 -21.95 21.95 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -172.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.582 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 63.6 t30 -79.25 -30.16 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.339 . . . . 0.0 110.525 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -74.32 106.32 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.586 HD11 HG22 ' A' ' 40' ' ' VAL . 24.9 pt -66.26 -18.61 24.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.919 -173.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -85.86 -1.17 57.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.832 0.349 . . . . 0.0 111.179 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -95.26 -13.81 24.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.398 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.502 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 48.3 m0 -57.38 -48.1 97.89 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.486 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 31.4 Cg_exo -60.04 -22.8 70.9 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.106 1.87 . . . . 0.0 112.74 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.53 -20.89 67.92 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.015 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.742 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 10.1 mp -103.34 -58.64 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.142 0.496 . . . . 0.0 110.198 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -91.31 104.49 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.682 -178.685 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -80.09 18.29 0.87 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.155 -173.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -95.65 -20.74 18.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.165 0.507 . . . . 0.0 110.577 176.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.475 ' CD1' HD21 ' A' ' 52' ' ' LEU . 10.0 m-30 -88.07 135.3 33.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -178.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.84 -59.72 2.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.238 0.542 . . . . 0.0 109.725 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 p -147.3 122.88 10.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.513 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG11 ' HB ' ' A' ' 25' ' ' ILE . 78.2 t -87.39 107.12 16.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 174.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 34.3 tt0 -96.8 119.34 35.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.513 -170.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 25' ' ' ILE . 21.5 t -70.2 104.82 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.868 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 tp -78.3 -34.1 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.012 0.434 . . . . 0.0 110.055 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.23 156.32 8.81 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.158 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.498 ' HG2' HG23 ' A' ' 48' ' ' VAL . 49.6 mtt180 -109.7 156.05 20.75 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.91 158.6 44.01 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.83 -28.68 61.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.831 0.348 . . . . 0.0 111.321 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -106.61 -18.71 13.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.863 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.846 ' HG2' HG22 ' A' ' 70' ' ' VAL . 60.7 mttp -144.28 168.17 20.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.396 0.617 . . . . 0.0 112.225 -169.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.498 HG23 ' HG2' ' A' ' 43' ' ' ARG . 5.6 p -134.91 116.78 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 169.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 m -97.9 120.64 38.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.055 -173.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 67' ' ' SER . 53.6 p90 -115.5 140.72 48.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.372 0.606 . . . . 0.0 110.7 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 36.8 ttt180 -103.39 98.03 7.99 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 174.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 35' ' ' TYR . 5.1 tt -81.78 108.07 15.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.755 -173.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 94.5 m -86.42 102.59 14.19 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.384 175.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.512 ' HB3' ' HB2' ' A' ' 63' ' ' TRP . 10.2 tpt -75.17 137.71 41.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 175.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -58.26 140.32 83.54 Favored Pre-proline 0 C--N 1.331 -0.206 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.989 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.597 ' HB3' HG22 ' A' ' 62' ' ' VAL . 19.5 Cg_endo -58.25 139.44 90.53 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 123.237 2.624 . . . . 0.0 112.955 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.566 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 24.6 t70 -69.59 162.81 26.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.558 174.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.46 -19.88 62.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.771 0.319 . . . . 0.0 111.211 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.52 -30.76 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.19 0.519 . . . . 0.0 110.342 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.65 35.06 3.14 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.397 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 47.2 mmtm -114.24 117.12 30.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.722 -0.281 . . . . 0.0 110.652 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.597 HG22 ' HB3' ' A' ' 56' ' ' PRO . 38.5 t -90.95 130.42 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 57' ' ' ASP . 4.8 m0 -112.07 87.07 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.784 -174.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 35.0 m -97.21 110.49 23.03 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.893 175.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.434 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 3.2 p90 -116.44 142.21 47.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.199 0.523 . . . . 0.0 111.26 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.5 t -88.75 129.37 39.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.805 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 15.2 m -135.03 146.27 48.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.001 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -106.53 119.78 40.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.056 0.455 . . . . 0.0 110.772 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.582 ' NH2' ' HA ' ' A' ' 23' ' ' ASN . 25.7 ttt85 -107.4 117.85 35.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.887 -176.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.846 HG22 ' HG2' ' A' ' 47' ' ' LYS . 27.0 t -101.31 97.66 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.3 112.88 26.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 29.8 t70 -122.31 118.08 29.03 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.874 0.369 . . . . 0.0 110.574 176.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 8.9 Cg_exo -72.26 -24.78 19.41 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.321 2.681 . . . . 0.0 112.881 -177.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.6 -52.26 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.942 0.401 . . . . 0.0 110.448 -177.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 p -76.69 -17.56 59.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.687 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.509 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 95.0 mtt180 65.94 38.63 4.88 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.64 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.4 m -141.17 131.86 25.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.844 -178.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.602 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 50.3 t -115.43 115.81 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.6 mtt85 -101.52 104.15 15.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . . . -108.2 104.7 14.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.847 0.356 . . . . 0.0 110.371 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -100.98 134.95 43.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.279 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 ttp85 -102.58 115.14 29.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.99 0.424 . . . . 0.0 110.044 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.6 t -79.16 -36.64 18.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.724 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 22.5 mt-10 -95.82 97.43 9.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.755 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.6 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 5.1 p -95.15 -34.76 12.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.689 -171.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.464 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 78.5 -111.42 3.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.015 -177.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.464 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 16.7 Cg_exo -69.1 -21.84 35.97 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.741 2.294 . . . . 0.0 112.237 177.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.6 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 26.6 m-85 -82.98 155.03 24.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -87.03 -41.44 13.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.784 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -159.31 154.48 25.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.398 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 45.9 ttm -156.8 124.35 5.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.97 0.414 . . . . 0.0 111.115 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -134.92 133.19 39.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.425 HG23 ' HG2' ' A' ' 110' ' ' GLN . 17.8 mt -116.83 118.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 110.814 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.554 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 60.4 t -103.87 111.36 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.639 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.8 m0 -90.41 104.65 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.4 tt0 -98.87 124.83 44.04 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -105.21 118.66 37.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.438 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.64 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.06 150.93 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.509 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 29.5 tt0 -97.63 127.78 43.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.105 0.479 . . . . 0.0 112.132 -168.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.75 150.7 43.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.131 170.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.43 -21.8 55.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.083 0.468 . . . . 0.0 110.755 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -95.49 3.2 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.161 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.66 -169.16 33.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.699 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.493 HG23 ' HG2' ' A' ' 15' ' ' MET . 29.3 m -115.78 122.41 45.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.644 0.259 . . . . 0.0 110.333 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.64 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 56.4 t -89.4 93.94 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 41.5 ttp -101.6 129.98 47.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.226 0.536 . . . . 0.0 110.801 -174.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.54 ' HB2' ' HB3' ' A' ' 96' ' ' GLU . 97.6 mtt180 -108.07 112.85 25.61 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.005 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 16.3 m0 -87.42 84.97 7.1 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 173.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.554 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 11.9 m -78.25 94.81 4.85 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.821 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.425 ' HG2' HG23 ' A' ' 93' ' ' ILE . 96.2 mt-30 -94.44 107.47 19.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.031 -177.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -104.79 103.74 13.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.555 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CZ ' ' HA3' ' A' ' 3' ' ' GLY . 53.2 p90 -119.38 154.86 32.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.478 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -124.4 124.58 42.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.003 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.4 mtp -130.46 156.39 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.147 177.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 28.1 ttpp 177.44 -47.79 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.541 -173.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 43.0 Cg_endo -69.31 116.88 4.73 Favored 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 121.94 1.76 . . . . 0.0 113.137 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.9 t70 76.39 -27.0 0.18 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.706 0.802 . . . . 0.0 112.563 168.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.5 129.37 51.38 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.83 -173.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -89.94 25.3 0.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.221 2.614 . . . . 0.0 112.224 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.8 m -83.89 125.63 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.917 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -84.83 31.57 0.54 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.713 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 67.69 -69.35 0.14 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.559 0.744 . . . . 0.0 110.934 -178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.61 -25.24 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.372 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 -59.94 -44.29 94.46 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.225 0.536 . . . . 0.0 109.989 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.419 ' O ' HG13 ' A' ' 129' ' ' ILE . 85.7 mtp -72.87 -40.44 65.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.224 178.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.568 HG23 HG23 ' A' ' 5' ' ' THR . 84.8 m -53.83 -42.74 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.446 0.467 . . . . 0.0 111.384 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.16 -44.45 72.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.678 0.275 . . . . 0.0 111.033 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.16 -40.68 96.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.274 177.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 125' ' ' MET . 64.5 mt -60.98 -46.65 96.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.863 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -51.41 -48.34 62.66 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.021 0.438 . . . . 0.0 111.002 177.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -69.13 -46.05 68.61 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.074 0.464 . . . . 0.0 110.921 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -67.5 -44.14 79.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.191 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 99.8 p -67.78 -44.33 77.67 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.573 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -54.56 -43.65 72.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.2 0.524 . . . . 0.0 110.099 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.5 m -69.54 -47.06 64.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.209 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 32' ' ' PHE . 8.8 tp-100 -70.83 -42.42 70.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.715 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.482 ' HB3' HG21 ' A' ' 9' ' ' ILE . 95.2 mmm -66.58 -28.56 68.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.23 99.72 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 171.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 59.7 tp -63.81 -47.89 79.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.386 176.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.536 HG23 HD23 ' A' ' 31' ' ' LEU . 73.7 mt -60.34 -41.58 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 177.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -57.26 -48.2 79.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.537 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.4 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.566 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.742 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 15.2 tpt180 -65.9 -44.98 83.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.238 -177.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.491 HD12 HD13 ' A' ' 11' ' ' ILE . 51.0 mt -65.81 -41.53 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.445 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.85 -38.08 81.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.046 0.45 . . . . 0.0 110.076 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -62.78 -46.6 87.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.28 176.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.09 82.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.557 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -72.36 -14.85 61.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.672 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -89.09 -31.14 12.38 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 120.911 0.386 . . . . 0.0 109.972 174.499 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.514 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.812 0.339 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.28 152.38 34.22 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -138.31 112.86 8.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.09 0.472 . . . . 0.0 111.348 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.538 HG21 ' HB ' ' A' ' 129' ' ' ILE . 25.6 m -123.52 112.42 17.46 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.272 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -108.06 114.08 27.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.11 0.481 . . . . 0.0 110.414 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -108.1 108.39 19.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.159 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -91.27 118.75 30.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.665 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.0 tt -126.93 123.38 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.388 0.613 . . . . 0.0 110.676 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 19.1 m -86.44 117.71 25.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.155 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.456 HD13 HD12 ' A' ' 144' ' ' ILE . 56.9 mt -98.24 125.18 51.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 120.821 0.343 . . . . 0.0 110.387 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.12 79.36 9.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.466 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.23 151.7 11.86 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.699 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 18' ' ' VAL . 51.9 Cg_exo -56.49 135.18 68.87 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.861 2.374 . . . . 0.0 112.054 177.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.624 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 86.0 mtp -55.54 -32.75 63.23 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.052 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -51.9 -48.56 64.09 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.384 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.738 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.1 mp -85.2 -32.94 22.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.423 -176.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 14' ' ' PRO . 90.0 t -55.92 -48.14 78.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.758 0.313 . . . . 0.0 110.182 177.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -69.14 -44.79 71.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.42 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 17' ' ' LEU . 1.3 t -67.49 -22.89 65.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.722 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.3 mmm -82.27 -40.82 21.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.638 0.256 . . . . 0.0 111.126 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.2 p -79.08 -35.39 42.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.845 0.355 . . . . 0.0 111.245 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -68.6 -34.74 76.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -76.75 90.17 3.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.156 0.503 . . . . 0.0 109.777 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.61 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 27.0 pt -72.45 -16.74 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.339 -175.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.04 -9.99 59.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.49 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -107.36 -0.68 22.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.596 -178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 43.4 m0 -62.16 -37.76 40.92 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.38 -29.25 47.38 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.575 1.517 . . . . 0.0 112.345 172.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.42 22.85 29.9 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.513 HD11 HG23 ' A' ' 140' ' ' ILE . 31.9 tp -130.67 -42.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.34 0.591 . . . . 0.0 109.483 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.64 -174.51 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.825 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.4 m -120.6 -39.76 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.607 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -86.77 -27.27 23.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 111.616 -175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.47 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 67.6 m-85 -88.85 108.64 19.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.064 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.34 -32.74 19.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.912 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.406 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 11.5 t -138.33 142.35 39.72 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.276 0.56 . . . . 0.0 110.592 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' ' 28' ' ' TRP . 86.5 t -118.15 96.91 4.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.634 176.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -94.55 101.32 13.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.601 -172.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -72.78 107.93 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.91 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 mt -71.55 -32.6 68.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.899 0.857 . . . . 0.0 109.06 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.41 166.04 32.44 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.314 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.542 ' HB3' HG23 ' A' ' 48' ' ' VAL . 21.0 ptt180 -153.42 136.25 15.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 117.861 0.83 . . . . 0.0 111.795 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.603 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 5.1 m-20 -94.59 173.8 7.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.104 176.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.38 -34.66 48.91 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.376 0.423 . . . . 0.0 112.084 -175.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 5.7 p-10 -131.09 5.99 4.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.611 0.243 . . . . 0.0 111.536 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 60.1 mttp -132.04 97.23 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 111.154 -173.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 43' ' ' ARG . 7.0 p -95.45 124.34 48.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.114 0.483 . . . . 0.0 111.035 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.401 HG23 ' HG2' ' A' ' 68' ' ' GLU . 7.1 m -104.02 100.91 10.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.035 178.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -118.49 153.22 34.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.556 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -111.7 120.96 43.78 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.869 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.637 ' O ' ' HA ' ' A' ' 64' ' ' SER . 77.7 mt -87.81 108.47 19.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.746 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.406 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 40.2 m -97.9 117.52 32.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.64 -176.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 58.2 mtt -94.21 -161.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.636 173.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -101.64 159.57 29.04 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.517 ' HG3' HG22 ' A' ' 62' ' ' VAL . 64.8 Cg_exo -52.28 116.1 2.61 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 177.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.38 -173.67 3.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.005 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.82 71.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.917 0.389 . . . . 0.0 111.59 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.01 -6.36 48.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.55 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.72 1.16 89.14 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -77.99 125.64 29.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.105 -0.547 . . . . 0.0 110.587 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.517 HG22 ' HG3' ' A' ' 56' ' ' PRO . 40.1 t -86.52 99.73 8.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 171.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.444 ' HE3' ' CZ3' ' A' ' 65' ' ' TRP . 11.7 m95 -70.55 97.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.671 0.748 . . . . 0.0 111.264 -173.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.637 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 34.5 t -128.32 101.62 6.31 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.902 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.508 ' HA ' ' OE2' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -107.32 136.63 46.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.465 0.65 . . . . 0.0 112.289 -174.393 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.76 126.22 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.445 175.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -133.38 131.71 40.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.373 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.401 ' HG2' HG23 ' A' ' 49' ' ' THR . 48.5 mt-10 -102.59 126.49 49.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.761 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -121.84 122.38 39.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.935 0.398 . . . . 0.0 111.146 -176.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.536 HG22 ' HG2' ' A' ' 47' ' ' LYS . 62.0 t -100.84 114.62 40.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.7 176.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.85 102.26 11.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.199 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 20.5 t70 -103.25 107.54 55.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.131 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 13.4 Cg_exo -70.43 -21.35 30.5 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.266 2.644 . . . . 0.0 112.773 -177.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.22 -54.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.974 0.416 . . . . 0.0 110.417 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.1 p -79.68 -12.19 59.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.759 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 61.06 33.56 19.54 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.375 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.7 m -124.39 122.55 38.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.385 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.1 t -110.33 116.56 52.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.127 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.513 ' HB3' HD21 ' A' ' 92' ' ' ASN . 99.2 mtt180 -105.41 115.69 30.68 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.882 -178.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.21 106.26 16.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.187 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -100.66 127.15 47.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -89.63 114.42 26.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.851 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.7 t -75.87 -43.86 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.713 -175.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.508 ' OE2' ' HA ' ' A' ' 65' ' ' TRP . 38.2 mt-10 -80.01 96.07 6.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.434 0.635 . . . . 0.0 109.469 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 12.8 p -89.65 -67.92 0.81 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.345 -170.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.439 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 103.45 -104.28 2.48 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.439 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 6.3 Cg_exo -73.94 -30.3 9.29 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.69 2.26 . . . . 0.0 111.0 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 82.3 m-85 -70.94 148.89 47.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.228 -178.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -89.99 -44.47 9.84 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 92' ' ' ASN . 67.6 t80 -145.17 140.8 28.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.971 176.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.532 ' SD ' ' HB3' ' A' ' 112' ' ' PHE . 14.5 tpt -140.11 104.28 4.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.571 0.224 . . . . 0.0 110.744 -177.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.513 HD21 ' HB3' ' A' ' 79' ' ' ARG . 3.0 t-20 -125.16 114.21 18.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.955 0.407 . . . . 0.0 110.911 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 mt -93.63 112.67 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.775 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.2 t -98.99 115.24 39.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.841 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.439 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 43.6 m0 -96.15 111.39 23.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.787 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -109.62 119.89 40.8 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.662 0.268 . . . . 0.0 110.518 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.78 128.28 45.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.948 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.76 149.33 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.339 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.624 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 41.4 mt-10 -85.03 121.86 28.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.977 178.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.2 m -145.02 157.45 44.12 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.69 -25.56 62.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.781 0.324 . . . . 0.0 111.522 -173.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -77.15 -14.53 59.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.969 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.24 -169.26 24.32 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.9 m -80.92 111.86 17.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.805 0.336 . . . . 0.0 110.298 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 81.7 t -83.45 112.23 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.507 ' HE2' ' HB3' ' A' ' 106' ' ' MET . 42.7 ttp -107.65 122.18 46.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.031 0.443 . . . . 0.0 110.428 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -91.39 119.38 31.34 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.929 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -92.57 85.78 5.4 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 15.0 m -96.27 107.31 19.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.357 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -91.77 112.17 23.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.016 0.436 . . . . 0.0 110.416 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -98.55 99.28 10.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.322 -0.854 . . . . 0.0 108.751 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.532 ' HB3' ' SD ' ' A' ' 91' ' ' MET . 33.1 p90 -126.87 118.13 23.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.594 0.711 . . . . 0.0 111.755 -174.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.514 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -89.69 125.95 35.46 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 53.3 ttp -170.9 150.32 3.14 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.648 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 37.7 tttp -156.81 -50.05 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 123.326 0.391 . . . . 0.0 110.894 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 31.1 Cg_exo -64.5 139.66 65.55 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.069 1.846 . . . . 0.0 112.116 175.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 38.9 t70 75.73 -19.15 0.42 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.669 0.788 . . . . 0.0 111.503 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -103.53 107.42 56.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.848 0.356 . . . . 0.0 110.98 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -86.15 32.45 0.46 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.56 2.84 . . . . 0.0 111.772 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.527 HG12 ' HD1' ' A' ' 124' ' ' TRP . 33.0 m -94.11 170.63 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.596 -173.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -125.08 35.51 4.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.129 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.3 t70 68.29 -67.78 0.19 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.135 -0.938 . . . . 0.0 111.267 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.404 ' HA ' ' HB ' ' A' ' 126' ' ' THR . . . -61.71 -22.16 65.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.876 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.527 ' HD1' HG12 ' A' ' 120' ' ' VAL . 73.1 t-105 -63.9 -41.86 97.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.357 0.598 . . . . 0.0 109.428 175.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.445 ' SD ' HG21 ' A' ' 120' ' ' VAL . 95.2 mtp -79.39 -36.65 38.83 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.911 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' ' 130' ' ' ASN . 31.5 m -53.83 -46.87 71.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.443 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 13.5 t70 -66.79 -52.19 46.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.752 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -58.79 -51.99 67.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.092 0.472 . . . . 0.0 111.275 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.538 ' HB ' HG21 ' A' ' 5' ' ' THR . 89.9 mt -66.55 -32.03 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.233 -176.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 126' ' ' THR . 18.2 t-20 -58.57 -44.15 89.64 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 44.8 mtt-85 -72.46 -46.61 54.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.231 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -57.04 -57.56 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.329 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.4 m -65.2 -36.04 82.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.139 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 134' ' ' ARG . 13.0 ttm180 -64.23 -46.69 82.71 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.048 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.9 m -62.83 -45.73 91.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.967 0.413 . . . . 0.0 110.281 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -60.02 -50.81 72.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.022 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.511 ' SD ' HD12 ' A' ' 140' ' ' ILE . 88.5 mmm -76.79 -14.03 59.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.266 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.85 -40.0 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.5 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 52.4 tp -63.04 -45.16 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.545 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.513 HG23 HD11 ' A' ' 31' ' ' LEU . 51.5 mt -64.06 -42.28 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.717 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -44.82 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 174.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -65.27 -43.17 92.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 3.0 mmp_? -61.64 -41.39 97.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.85 178.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.456 HD12 HD13 ' A' ' 11' ' ' ILE . 60.9 mt -67.39 -43.31 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.71 -42.24 98.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 110.086 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.69 -43.44 80.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.556 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.96 -40.84 68.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.175 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.455 ' HA ' HD22 ' A' ' 17' ' ' LEU . . . -71.17 -23.42 62.05 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -81.83 -37.63 15.87 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.447 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 0.0 110.894 179.526 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 112' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.732 0.301 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -116.38 144.1 18.3 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.824 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -104.55 82.0 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 m -83.96 114.89 22.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.397 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -113.78 90.24 3.29 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.42 104.61 16.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.66 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 25.0 mt-10 -95.4 155.99 16.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.088 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 tt -158.09 140.25 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.007 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 m -96.79 113.93 25.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.53 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.532 HG22 ' H ' ' A' ' 13' ' ' ALA . 53.3 mt -98.93 129.65 48.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.84 -13.46 58.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.935 0.398 . . . . 0.0 111.375 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -67.52 150.94 97.6 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.203 178.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.31 153.14 79.2 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.758 2.305 . . . . 0.0 112.773 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 83.9 mmm -50.97 -37.22 43.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.128 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.35 -76.9 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.186 0 O-C-N 123.589 0.556 . . . . 0.0 111.673 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.443 ' H ' HD12 ' A' ' 17' ' ' LEU . 7.3 mp -51.87 -42.83 62.96 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 122.6 0.36 . . . . 0.0 111.918 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -53.48 -55.5 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 O-C-N 123.057 0.223 . . . . 0.0 111.423 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.455 ' CH2' ' HA ' ' A' ' 76' ' ' ARG . 9.9 t-105 -69.45 -47.3 64.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.7 m -51.68 -53.06 43.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.458 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 mtt -75.32 -48.51 22.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.719 0.295 . . . . 0.0 111.729 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -69.03 -27.23 65.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.409 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 28.7 m-80 -90.85 -9.39 46.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -176.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -96.14 111.46 23.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 171.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.586 HD11 HG22 ' A' ' 40' ' ' VAL . 25.7 pt -72.11 -9.01 12.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.691 -168.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.39 -3.04 58.08 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.16 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HB3' HD13 ' A' ' 31' ' ' LEU . 10.1 mptt -106.45 3.94 27.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.968 0.413 . . . . 0.0 110.327 175.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.524 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 35.5 m0 -64.53 -51.08 62.06 Favored Pre-proline 0 C--O 1.218 -0.59 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.267 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 9.5 Cg_endo -54.33 -31.88 69.39 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.855 1.703 . . . . 0.0 112.96 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.07 -53.46 4.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.522 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' A' ' 27' ' ' LYS . 11.1 mp -73.39 -55.11 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.401 . . . . 0.0 111.035 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.48 ' CD2' HD11 ' A' ' 140' ' ' ILE . 2.0 t80 -93.13 87.45 5.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -78.51 85.47 4.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.285 0.564 . . . . 0.0 110.403 -174.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -163.9 -43.81 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.389 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.487 ' HD1' ' SD ' ' A' ' 54' ' ' MET . 27.5 m-85 -73.88 141.79 46.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.845 177.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.33 -67.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.903 0.382 . . . . 0.0 111.056 -178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.57 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 17.8 m -121.74 109.38 14.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.018 0.437 . . . . 0.0 110.833 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.507 HG11 ' HB ' ' A' ' 25' ' ' ILE . 49.0 t -92.83 103.8 15.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.642 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 6.2 mm-40 -98.73 139.59 34.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.597 -172.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 25' ' ' ILE . 24.0 t -90.6 112.8 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.835 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.441 HD12 HG22 ' A' ' 49' ' ' THR . 83.7 mt -90.18 -29.39 18.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.997 0.427 . . . . 0.0 110.628 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.73 156.31 12.53 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.563 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -125.59 106.14 9.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.91 0.355 . . . . 0.0 110.5 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -107.36 157.5 17.91 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -45.46 -45.65 13.15 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.04 0.837 . . . . 0.0 112.168 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -116.87 6.33 13.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.671 -177.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -145.42 95.1 2.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.697 0.284 . . . . 0.0 111.596 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.816 HG13 ' HB3' ' A' ' 69' ' ' ARG . 3.5 p -95.95 96.29 5.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.806 0.812 . . . . 0.0 108.971 171.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.441 HG22 HD12 ' A' ' 41' ' ' LEU . 14.0 m -79.33 123.81 27.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.781 -175.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.449 ' CE1' ' HG ' ' A' ' 52' ' ' LEU . 55.1 p90 -124.81 155.91 38.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.136 0.493 . . . . 0.0 111.12 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.642 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 41.4 ttt180 -113.68 112.11 22.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.915 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' HG ' ' CE1' ' A' ' 50' ' ' PHE . 28.7 mt -86.99 100.54 12.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.236 0.541 . . . . 0.0 110.444 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.57 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 29.4 m -97.12 114.8 26.51 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.119 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.487 ' SD ' ' HD1' ' A' ' 35' ' ' TYR . 90.3 mmm -87.31 167.49 14.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -57.32 134.99 81.38 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.496 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.92 118.34 4.67 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 123.015 2.476 . . . . 0.0 111.634 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -57.37 149.3 20.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.311 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.35 -26.45 60.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.86 -10.03 59.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.995 0.426 . . . . 0.0 110.877 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.04 40.48 4.58 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.466 176.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -125.37 124.48 41.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.4 t -91.16 107.77 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.873 0.368 . . . . 0.0 110.245 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.561 ' HE3' ' HZ3' ' A' ' 65' ' ' TRP . 11.6 m95 -75.44 101.6 4.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.424 0.63 . . . . 0.0 110.7 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 m -126.0 114.86 19.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.199 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.561 ' HZ3' ' HE3' ' A' ' 63' ' ' TRP . 9.9 p90 -115.04 135.84 53.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.284 0.564 . . . . 0.0 110.929 177.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.8 t -89.38 134.4 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.205 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 33.5 t -138.63 139.25 38.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.94 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.407 ' HG2' HG23 ' A' ' 49' ' ' THR . 35.8 mt-10 -103.26 123.19 46.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.816 ' HB3' HG13 ' A' ' 48' ' ' VAL . 67.5 ttt180 -103.42 123.72 47.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.177 -172.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -106.84 103.05 14.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.222 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.69 107.12 18.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.689 0.281 . . . . 0.0 110.412 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 14.5 t70 -102.6 105.23 43.11 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.805 177.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 10.2 Cg_exo -71.67 -22.6 23.9 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 123.158 2.572 . . . . 0.0 112.661 -176.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.43 -49.55 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.176 0.512 . . . . 0.0 110.826 -176.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 m -88.55 -4.67 58.55 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.517 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 3.1 mpt_? 57.03 42.01 26.68 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.444 0.64 . . . . 0.0 110.077 -175.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 94.3 m -124.74 121.12 33.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.584 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.579 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 22.5 t -107.44 100.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.262 0.553 . . . . 0.0 109.586 176.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -92.32 111.28 22.79 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.67 -174.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.96 112.43 24.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.909 0.385 . . . . 0.0 110.831 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -103.97 128.26 51.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.248 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -89.24 109.18 20.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.2 t -63.46 -42.5 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.369 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -76.55 111.62 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.35 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.8 p -95.83 -74.86 0.54 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.019 -172.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.6 -128.79 8.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.788 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.99 -36.64 81.84 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.534 2.156 . . . . 0.0 111.557 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -87.66 92.87 9.26 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.299 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.02 -29.77 70.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.289 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.708 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 36.0 t80 -132.33 121.7 23.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.317 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 82.4 mmm -129.94 96.4 4.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -123.6 105.3 9.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.752 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.517 HG12 ' HG3' ' A' ' 110' ' ' GLN . 9.5 mt -105.46 107.41 22.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.142 0.496 . . . . 0.0 110.384 -176.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.567 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 93.8 t -94.67 108.97 21.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.913 -178.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.579 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 20.8 m0 -90.46 105.7 18.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.646 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.1 tt0 -102.66 136.87 41.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.607 -176.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -120.11 128.7 53.7 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -124.2 126.13 45.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.764 0.316 . . . . 0.0 111.396 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.54 109.18 4.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.958 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 m -120.62 157.75 28.86 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.04 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 111.191 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -76.64 -36.79 57.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.421 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 162.9 -169.32 38.06 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.703 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 86.2 m -81.69 109.47 16.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.948 0.404 . . . . 0.0 110.628 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.7 t -84.66 121.1 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.492 ' HA ' ' O ' ' A' ' 96' ' ' GLU . 52.9 ttp -111.03 129.22 55.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.751 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.66 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 50.4 mtt-85 -100.85 126.85 47.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.984 175.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -98.87 83.92 3.01 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 166.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.567 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 8.9 m -88.16 92.47 9.16 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.269 -177.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.517 ' HG3' HG12 ' A' ' 93' ' ' ILE . 53.4 tt0 -96.95 101.04 12.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.031 0.443 . . . . 0.0 110.608 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.4 95.92 8.91 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 172.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 25.6 p90 -109.53 134.66 51.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.328 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.708 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -124.39 103.96 8.5 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.581 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 19.6 ptm -116.14 147.01 41.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.989 0.423 . . . . 0.0 110.662 -176.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.748 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 87.9 tttt -157.18 -54.93 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.361 -173.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 24.9 Cg_exo -63.19 115.86 3.24 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.78 1.653 . . . . 0.0 111.954 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 64.29 28.41 13.83 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.273 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.24 104.61 30.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -82.84 -3.82 11.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.712 2.274 . . . . 0.0 112.187 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.5 HG21 ' HG2' ' A' ' 125' ' ' MET . 29.1 m -79.59 146.76 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.393 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.84 44.93 1.13 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.995 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.6 t70 69.94 -68.73 0.19 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.192 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.86 -21.35 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.771 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.416 ' HB3' ' HB ' ' A' ' 120' ' ' VAL . 74.9 t-105 -64.08 -43.81 94.3 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.888 0.375 . . . . 0.0 110.183 178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.581 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 90.5 mmm -74.74 -29.89 61.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.4 m -53.97 -53.42 53.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.324 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.55 -33.86 67.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.44 179.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -61.06 -48.34 82.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.425 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.62 -41.55 93.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.441 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -53.26 -52.91 57.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.117 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -64.58 -47.97 76.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.246 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' A' ' 136' ' ' GLN . 8.8 t30 -59.06 -58.07 10.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.564 ' O ' ' HG2' ' A' ' 137' ' ' MET . 31.4 m -64.77 -37.67 88.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -175.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -54.49 -48.68 71.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.928 0.395 . . . . 0.0 110.36 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 25.7 m -62.86 -40.4 97.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 132' ' ' ASN . 9.9 mm100 -70.12 -36.24 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 133' ' ' SER . 27.1 mmt -63.63 -48.18 78.34 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.557 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.54 83.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.324 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 2.1 tm? -61.44 -49.66 75.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.906 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.48 HD11 ' CD2' ' A' ' 32' ' ' PHE . 70.3 mt -63.1 -47.61 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.212 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.52 ' HG3' HG12 ' A' ' 11' ' ' ILE . 62.6 ttp85 -56.13 -45.43 79.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.961 0.41 . . . . 0.0 110.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.495 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 35.7 t70 -58.21 -51.99 67.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.536 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 25.7 mmt85 -57.28 -48.67 78.31 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.612 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 50.3 mt -66.15 -43.33 92.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.317 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.82 -21.95 58.99 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.522 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 96.5 mt-30 -69.54 -32.86 71.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 170.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.16 -45.1 20.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.807 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.24 -26.72 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.541 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -80.42 -27.86 50.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.144 -0.55 . . . . 0.0 111.957 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.305 0.574 . . . . 0.0 109.735 176.849 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 112' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.575 0.226 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.446 ' CA ' ' HB3' ' A' ' 122' ' ' ASP . . . -74.44 125.49 8.69 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.038 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.521 ' HD2' ' HA ' ' A' ' 111' ' ' ASP . 32.2 m170 -124.93 102.09 7.37 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.182 0.515 . . . . 0.0 110.335 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.457 ' OG1' ' HA ' ' A' ' 126' ' ' THR . 24.3 m -99.26 125.88 44.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.08 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.446 ' CG ' HH21 ' A' ' 107' ' ' ARG . 23.2 t0 -123.48 97.99 5.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.719 HD21 ' HB2' ' A' ' 134' ' ' ARG . 21.6 t-20 -105.17 109.05 20.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.339 -177.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.602 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 29.7 mt-10 -100.29 127.42 46.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.01 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 mm -121.39 116.12 48.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.141 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.3 m -80.79 103.64 10.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.016 0.436 . . . . 0.0 110.62 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.477 HG12 ' HG3' ' A' ' 141' ' ' ARG . 45.7 mt -97.12 128.97 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.68 35.56 0.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.176 0.513 . . . . 0.0 110.949 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.87 147.98 42.32 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.344 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.435 ' O ' HG23 ' A' ' 18' ' ' VAL . 52.5 Cg_exo -53.97 130.65 40.41 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 123.103 2.535 . . . . 0.0 112.46 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.413 ' HE2' ' HB3' ' A' ' 97' ' ' TYR . 51.0 ttm -55.51 -32.32 62.79 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.394 -178.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.18 -45.87 86.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -75.36 -41.84 55.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.123 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.445 HG22 HG21 ' A' ' 144' ' ' ILE . 59.3 t -55.46 -46.18 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -65.5 -48.11 73.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.5 t -69.2 -33.91 74.07 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.185 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.6 mtt -73.62 -31.06 63.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.633 0.254 . . . . 0.0 111.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.1 p -89.92 -11.83 40.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.058 0.456 . . . . 0.0 110.709 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.06 -41.18 74.49 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.925 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.439 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 15.4 t0 -73.76 101.73 3.78 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.932 178.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.572 HD11 HG22 ' A' ' 40' ' ' VAL . 42.6 pt -75.43 -12.25 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.416 -176.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -85.64 -1.28 56.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.409 0.623 . . . . 0.0 109.863 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.439 ' HD2' ' HB3' ' A' ' 24' ' ' ASP . 49.6 mttp -101.48 -9.73 20.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.343 175.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.53 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 44.5 m0 -56.69 -49.26 94.71 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.381 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.8 Cg_endo -60.06 -14.91 30.7 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.08 1.853 . . . . 0.0 112.585 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.57 -40.53 5.33 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.1 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.534 HD23 HG23 ' A' ' 140' ' ' ILE . 10.8 mp -85.4 -48.71 8.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 111.038 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.03 111.95 20.78 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -89.02 -11.22 44.83 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -77.15 -20.17 55.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.08 0.467 . . . . 0.0 110.563 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -105.27 160.07 15.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.12 -54.91 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.515 -176.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 68.5 m -147.31 150.95 35.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.936 0.398 . . . . 0.0 111.325 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.436 HG21 ' HB2' ' A' ' 28' ' ' TRP . 74.5 t -123.77 107.19 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.407 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -98.01 132.67 43.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.758 -175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.572 HG22 HD11 ' A' ' 25' ' ' ILE . 54.0 t -77.44 111.78 14.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.8 tp -80.12 -34.07 38.15 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.46 156.26 15.75 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.624 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -122.47 85.34 2.4 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -90.37 100.99 13.73 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.551 -171.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 65.89 -83.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.775 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -129.94 -3.03 4.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HG2' HG22 ' A' ' 70' ' ' VAL . 97.2 mttt -88.02 127.37 35.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.321 177.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.456 HG11 HH21 ' A' ' 69' ' ' ARG . 6.1 p -108.8 104.28 16.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.819 0.819 . . . . 0.0 110.024 176.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.463 HG23 ' HG2' ' A' ' 68' ' ' GLU . 38.2 m -92.41 118.24 30.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.031 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.482 ' HB3' HD12 ' A' ' 25' ' ' ILE . 50.8 p90 -113.93 142.29 46.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.495 0.664 . . . . 0.0 111.009 -177.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -105.42 101.58 11.1 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.371 175.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.516 ' O ' ' HA ' ' A' ' 64' ' ' SER . 3.4 tt -82.65 116.06 21.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.551 -174.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.1 m -100.71 108.64 20.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.436 0.636 . . . . 0.0 110.366 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.512 ' HB3' ' HB2' ' A' ' 63' ' ' TRP . 16.4 ttt -98.94 167.76 10.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -62.57 131.85 94.23 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.719 0.295 . . . . 0.0 111.583 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.42 ' HB3' HG22 ' A' ' 62' ' ' VAL . 26.6 Cg_endo -62.96 146.28 94.75 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.936 2.424 . . . . 0.0 111.954 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -90.42 -170.63 2.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.22 -19.66 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 111.061 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.51 -25.37 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.289 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.61 -1.21 87.11 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 -170.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -73.89 109.3 7.28 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.399 -0.9 . . . . 0.0 109.53 176.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' A' ' 56' ' ' PRO . 56.0 t -74.96 120.68 24.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 65' ' ' TRP . 49.3 m0 -76.48 83.93 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.991 0.424 . . . . 0.0 110.247 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 11.3 t -121.0 110.51 16.36 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.519 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 63' ' ' TRP . 2.7 p90 -119.5 147.95 43.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.429 -175.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.15 128.02 42.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.341 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 14.7 m -134.81 138.55 44.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.788 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.463 ' HG2' HG23 ' A' ' 49' ' ' THR . 57.6 mt-10 -107.36 128.91 54.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.456 HH21 HG11 ' A' ' 48' ' ' VAL . 29.6 ttp180 -119.58 125.06 47.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.86 0.362 . . . . 0.0 111.179 -176.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.488 HG22 ' HG2' ' A' ' 47' ' ' LYS . 29.3 t -115.62 117.78 56.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB2' HG13 ' A' ' 78' ' ' VAL . . . -119.36 102.89 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.183 -175.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 3.7 p-10 -97.22 121.48 58.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.402 0.62 . . . . 0.0 109.906 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 10.0 Cg_exo -73.05 -8.53 22.32 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.107 2.538 . . . . 0.0 111.789 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.39 -56.34 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.391 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.67 -6.47 46.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.59 -177.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HB3' ' HB2' ' A' ' 97' ' ' TYR . 9.8 mpt_? 62.93 46.84 4.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.223 -176.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.5 m -131.48 123.08 27.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.134 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.595 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.2 t -108.49 112.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.101 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 74.6 mtt85 -101.08 110.7 22.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.603 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.428 ' HB2' ' HG3' ' A' ' 69' ' ' ARG . . . -111.16 100.17 8.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.771 0.32 . . . . 0.0 110.476 177.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -93.65 119.93 33.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 0.0 110.644 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -90.6 111.2 22.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.928 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 52.5 t -66.59 -58.78 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.52 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -82.82 94.05 7.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.451 0.643 . . . . 0.0 109.776 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.596 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -82.29 -21.99 35.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.485 -174.157 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.63 -112.93 3.83 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.815 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.96 -26.31 15.44 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.942 2.428 . . . . 0.0 111.912 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 25.8 m-85 -82.11 168.67 17.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.69 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -101.48 -63.66 1.12 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.219 0.533 . . . . 0.0 109.63 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 112' ' ' PHE . 92.0 t80 -114.01 148.16 37.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.466 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 52.3 ttm -164.42 108.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.011 0.434 . . . . 0.0 111.165 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -112.28 113.25 25.37 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.54 HG23 ' HG2' ' A' ' 110' ' ' GLN . 41.7 mt -91.59 103.23 14.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.212 -177.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.9 t -98.55 113.22 32.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.05 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.595 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 19.0 m0 -92.03 100.29 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 172.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -97.31 130.21 44.51 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.413 ' HB3' ' HE2' ' A' ' 15' ' ' MET . 85.7 m-85 -109.06 109.2 20.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 -177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.2 119.13 38.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -81.77 129.88 34.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.13 0.491 . . . . 0.0 110.652 -176.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.6 m -124.55 162.74 23.39 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.29 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.41 68.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 0.0 111.754 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -97.48 2.74 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.1 -169.42 24.73 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.249 -0.976 . . . . 0.0 112.321 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -95.93 119.19 33.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.604 0.24 . . . . 0.0 110.675 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 91.9 t -80.23 103.91 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.319 0.58 . . . . 0.0 109.712 174.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.48 ' SD ' ' HD1' ' A' ' 108' ' ' TRP . 11.6 tmm? -89.06 121.04 31.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.267 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.602 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 71.6 mtp180 -106.2 123.21 47.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.582 0.229 . . . . 0.0 111.451 -177.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.48 ' HD1' ' SD ' ' A' ' 106' ' ' MET . 0.9 OUTLIER -96.0 82.59 3.53 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 169.708 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.4 m -95.19 101.62 13.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.877 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.54 ' HG2' HG23 ' A' ' 93' ' ' ILE . 55.3 mt-30 -103.1 118.05 35.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.989 0.423 . . . . 0.0 110.99 -176.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.521 ' HA ' ' HD2' ' A' ' 4' ' ' HIS . 9.4 m-20 -93.85 98.56 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.45 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 54.9 p90 -122.25 156.68 33.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.411 . . . . 0.0 110.626 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.14 121.14 14.63 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.803 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 93.9 mmm -80.33 141.46 35.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.485 ' H ' ' CD ' ' A' ' 116' ' ' PRO . 17.6 tptp -131.98 -47.18 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -177.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.485 ' CD ' ' H ' ' A' ' 115' ' ' LYS . 51.1 Cg_exo -58.02 -9.77 6.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.023 1.815 . . . . 0.0 112.99 177.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 66.6 74.14 0.35 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.546 0.688 . . . . 0.0 110.252 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 119' ' ' PRO . . . -91.37 161.32 34.99 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.28 178.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 118' ' ' ALA . 10.5 Cg_endo -55.14 -36.46 93.13 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.716 2.277 . . . . 0.0 111.47 176.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.7 m -75.67 112.98 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.621 0.724 . . . . 0.0 109.888 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 125' ' ' MET . 28.7 m-20 -80.11 165.22 22.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.444 -176.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.446 ' HB3' ' CA ' ' A' ' 3' ' ' GLY . 5.8 m-20 -56.54 -36.42 69.22 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.54 84.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -64.72 -41.89 95.65 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.88 0.372 . . . . 0.0 110.068 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 121' ' ' ASP . 82.7 mmm -65.6 -34.7 78.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.632 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.457 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 88.8 m -57.65 -44.47 85.67 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 110.127 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.1 -44.37 80.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -58.51 -53.18 61.21 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.445 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.45 -42.54 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.677 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -55.58 -51.82 65.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 131' ' ' ARG . 48.3 mtm180 -69.95 -44.34 69.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.31 -178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -62.18 -49.67 74.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.674 0.273 . . . . 0.0 110.84 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.1 m -61.58 -45.43 94.17 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.719 ' HB2' HD21 ' A' ' 7' ' ' ASN . 46.1 ttm180 -58.32 -38.35 76.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.329 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 20.4 m -70.97 -53.49 14.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -67.74 -41.34 83.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.714 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 93.8 mmm -74.16 -20.6 60.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.865 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 141' ' ' ARG . . . -71.74 -37.0 70.62 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 172.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 46.2 tp -60.88 -49.22 78.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.632 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.534 HG23 HD23 ' A' ' 31' ' ' LEU . 65.9 mt -66.03 -37.32 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.367 177.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.477 ' HG3' HG12 ' A' ' 11' ' ' ILE . 44.8 ttt-85 -51.96 -52.55 49.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.494 176.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.37 -46.41 90.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.756 0.312 . . . . 0.0 110.3 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -56.36 -49.06 75.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.104 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.445 HG21 HG22 ' A' ' 18' ' ' VAL . 31.9 mm -61.47 -46.81 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.328 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.97 -37.52 78.84 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.737 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.43 -43.2 98.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.099 0.476 . . . . 0.0 110.069 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.86 67.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.017 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.56 -33.14 68.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.395 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -70.34 -30.99 68.8 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.541 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.804 0.335 . . . . 0.0 110.761 175.242 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.758 0.313 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.76 94.96 2.05 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -86.36 89.07 7.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.508 ' HG1' ' HE2' ' A' ' 112' ' ' PHE . 6.6 m -97.28 106.79 19.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.275 -175.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -109.14 103.96 13.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.963 0.411 . . . . 0.0 110.577 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.689 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 27.1 m-80 -97.84 99.02 10.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.028 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.896 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 36.1 mt-10 -93.2 123.35 36.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.037 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.1 tt -131.55 138.22 53.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.887 0.375 . . . . 0.0 110.215 173.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.5 m -94.97 109.48 21.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.047 0.451 . . . . 0.0 110.933 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.507 HG12 ' HG3' ' A' ' 141' ' ' ARG . 43.6 mt -97.82 126.3 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.016 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.97 30.87 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.445 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.14 154.18 55.78 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.087 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.587 ' HB2' HD13 ' A' ' 17' ' ' LEU . 47.0 Cg_exo -56.86 139.71 89.88 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.866 2.378 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.734 ' SD ' ' HB2' ' A' ' 99' ' ' GLU . 77.8 mtp -51.72 -47.93 63.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.036 -175.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.51 -33.99 73.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.303 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.587 HD13 ' HB2' ' A' ' 14' ' ' PRO . 10.3 mp -71.25 -41.59 69.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.2 -46.74 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.943 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.536 ' HZ2' ' HB1' ' A' ' 71' ' ' ALA . 17.2 t-105 -55.7 -62.44 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.925 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -62.12 -32.83 73.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -172.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.6 mmm -81.62 -41.78 20.99 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -82.47 -27.76 31.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.778 0.323 . . . . 0.0 111.474 -175.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -84.26 -8.63 58.98 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.036 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -82.08 96.61 7.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 HG22 ' A' ' 40' ' ' VAL . 32.8 pt -65.61 -20.65 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.172 -170.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.77 -11.85 61.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.114 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -100.29 -7.69 24.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.246 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.496 ' HB2' HG21 ' A' ' 38' ' ' VAL . 47.5 m0 -60.68 -43.34 91.85 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.64 -22.53 44.32 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.022 1.815 . . . . 0.0 112.882 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.86 23.24 14.96 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.936 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.539 ' HG ' HG12 ' A' ' 140' ' ' ILE . 59.7 tp -138.76 -53.76 0.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.142 0.496 . . . . 0.0 109.769 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.06 155.38 28.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.678 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -90.36 -34.1 15.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.809 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -86.37 -16.6 36.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -170.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -107.09 125.93 51.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.965 0.412 . . . . 0.0 111.354 -171.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.32 -38.64 11.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.732 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.546 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 40.6 t -140.46 144.34 36.02 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.448 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.528 HG11 ' HB ' ' A' ' 25' ' ' ILE . 68.0 t -139.2 109.51 4.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -107.49 148.49 29.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.034 0.445 . . . . 0.0 111.591 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 25' ' ' ILE . 42.5 t -85.73 111.95 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.6 tp -85.82 -14.09 46.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.334 0.588 . . . . 0.0 109.948 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.9 156.24 7.56 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.297 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.608 ' HB3' HG23 ' A' ' 48' ' ' VAL . 20.4 ptt180 -150.84 122.14 7.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.331 0.586 . . . . 0.0 111.024 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -134.98 95.76 3.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.757 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t70 65.91 -80.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 O-C-N 124.013 0.821 . . . . 0.0 111.48 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -102.78 -40.25 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.656 0.741 . . . . 0.0 109.374 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -79.54 94.17 5.57 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.525 -170.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.608 HG23 ' HB3' ' A' ' 43' ' ' ARG . 3.2 p -112.9 108.17 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.859 0.838 . . . . 0.0 110.317 173.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.57 HG23 ' HG2' ' A' ' 68' ' ' GLU . 7.2 m -87.1 129.86 34.75 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.055 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -124.51 150.16 46.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.443 0.64 . . . . 0.0 111.456 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -110.43 118.17 35.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.145 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 64' ' ' SER . 47.7 mt -96.99 107.59 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.05 0.452 . . . . 0.0 110.715 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 27.3 m -109.11 125.69 52.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.517 -174.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.2 mtt -97.84 -175.07 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.024 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -69.04 149.4 97.79 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.015 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.475 ' HB3' HG22 ' A' ' 62' ' ' VAL . 18.0 Cg_endo -60.62 123.92 14.01 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.722 2.281 . . . . 0.0 111.434 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.47 163.9 19.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.846 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.01 -16.68 60.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -78.07 -2.32 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.214 0.53 . . . . 0.0 110.376 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.96 29.47 46.61 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.745 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -128.59 130.22 47.04 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.475 HG22 ' HB3' ' A' ' 56' ' ' PRO . 26.3 t -88.66 124.68 41.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.088 -178.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -87.21 102.03 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.275 0.56 . . . . 0.0 110.461 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 34.7 t -136.79 116.42 12.95 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.96 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.57 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 43.6 p90 -111.95 161.75 16.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.094 0.473 . . . . 0.0 110.659 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.8 t -104.56 138.11 30.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.868 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.1 m -144.95 158.93 43.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.57 ' HG2' HG23 ' A' ' 49' ' ' THR . 19.7 mt-10 -123.0 134.64 54.31 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.448 -175.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.522 ' HB3' HG13 ' A' ' 48' ' ' VAL . 42.8 ttt-85 -107.86 126.45 52.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.891 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.0 t -119.1 100.67 10.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 172.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.536 ' HB1' ' HZ2' ' A' ' 19' ' ' TRP . . . -98.36 105.57 17.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.726 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 11.0 t70 -80.02 111.66 23.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 6.3 Cg_exo -74.15 -19.63 19.89 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.942 2.428 . . . . 0.0 112.904 -174.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.24 -51.21 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.025 0.441 . . . . 0.0 110.555 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -84.98 -11.42 55.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.346 0.593 . . . . 0.0 110.124 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 58.04 51.21 9.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.396 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.5 m -129.84 125.18 35.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.047 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.57 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 24.6 t -104.63 108.82 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.82 0.343 . . . . 0.0 110.704 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -100.87 109.19 21.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.976 0.417 . . . . 0.0 110.353 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 68' ' ' GLU . . . -111.85 107.76 16.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -86.64 141.7 28.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.929 0.395 . . . . 0.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 91' ' ' MET . 23.5 ttt180 -91.73 122.38 34.23 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.4 t -83.13 -56.87 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.82 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.57 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 10.8 mm-40 -75.25 123.97 26.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.923 0.392 . . . . 0.0 110.681 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 35.1 p -76.35 -88.09 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -170.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.2 -123.6 7.67 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -174.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -72.52 -15.97 27.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 111.791 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.629 ' O ' ' HB ' ' A' ' 85' ' ' THR . 71.3 m-85 -103.78 160.19 14.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.195 -177.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -93.61 -41.95 9.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.482 0.658 . . . . 0.0 109.644 174.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -151.82 152.19 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.397 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.539 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 51.0 ttm -152.43 118.31 5.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.79 0.328 . . . . 0.0 110.542 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -116.33 109.13 16.96 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.551 HG12 ' HG3' ' A' ' 110' ' ' GLN . 28.4 mt -93.95 103.7 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 110.494 -176.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.496 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 40.9 t -100.07 114.97 40.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.57 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 48.1 m0 -92.75 100.5 12.98 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.686 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.5 tt0 -94.98 109.69 21.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.037 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -92.54 111.2 22.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.216 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -119.41 109.16 15.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.764 0.316 . . . . 0.0 110.63 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.734 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 37.0 tt0 -67.61 128.31 36.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.066 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.5 m -129.2 165.42 21.37 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.1 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.44 -30.69 30.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -96.36 2.67 52.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.8 0.333 . . . . 0.0 111.553 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.87 -170.21 21.76 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.398 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.0 m -81.87 111.04 17.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.857 0.36 . . . . 0.0 110.627 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.4 t -86.84 110.82 20.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.421 ' HE2' ' HB3' ' A' ' 106' ' ' MET . 33.7 ttp -100.67 118.2 36.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.279 0.562 . . . . 0.0 109.977 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.896 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 94.5 mtt180 -95.62 109.73 21.94 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.156 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.689 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 4.8 m95 -84.2 79.13 9.64 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.885 174.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.496 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 9.2 m -83.13 90.05 7.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.997 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.551 ' HG3' HG12 ' A' ' 93' ' ' ILE . 34.1 tt0 -91.04 99.11 12.2 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -93.38 98.85 11.49 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.659 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.508 ' HE2' ' HG1' ' A' ' 5' ' ' THR . 41.5 p90 -120.38 159.95 24.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.112 0.482 . . . . 0.0 110.885 -178.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.96 123.77 28.04 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.738 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 49.9 mtp -98.01 144.93 27.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.978 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.577 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 44.5 mmtm -145.81 -47.01 0.02 OUTLIER Pre-proline 0 C--N 1.318 -0.764 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.211 -172.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.577 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 47.1 Cg_exo -43.05 158.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.426 1.418 . . . . 0.0 111.899 166.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.63 32.42 0.2 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.612 -168.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -57.88 143.93 75.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.641 175.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 12.3 Cg_exo -71.49 6.62 1.83 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.18 2.587 . . . . 0.0 113.218 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.413 ' HB ' ' HB3' ' A' ' 124' ' ' TRP . 24.1 m -117.97 135.77 57.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.6 74.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.254 -173.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 62.39 -77.1 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.903 0.752 . . . . 0.0 112.047 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.455 ' O ' ' HB ' ' A' ' 126' ' ' THR . . . -64.13 -20.08 65.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -170.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.413 ' HB3' ' HB ' ' A' ' 120' ' ' VAL . 31.9 t-105 -61.84 -51.34 68.62 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.526 0.679 . . . . 0.0 109.737 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 66.6 mtp -70.62 -27.19 63.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.08 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 123' ' ' ALA . 52.8 m -52.34 -46.04 65.9 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 173.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.13 -41.82 81.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.522 ' HA ' ' HD3' ' A' ' 131' ' ' ARG . 65.6 t30 -68.89 -33.33 73.6 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.095 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.413 HD13 ' OE1' ' A' ' 110' ' ' GLN . 73.4 mt -65.48 -40.59 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.401 176.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.567 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 60.3 t30 -56.81 -40.71 76.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.268 0.556 . . . . 0.0 109.841 175.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.522 ' HD3' ' HA ' ' A' ' 128' ' ' ASN . 41.8 mtp85 -61.45 -56.85 15.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.292 177.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.0 -48.01 80.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.972 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.3 m -62.31 -46.45 88.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.186 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -57.84 -40.61 80.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.396 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.1 m -68.14 -51.6 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -65.46 -46.7 78.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.356 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.44 ' SD ' HD12 ' A' ' 140' ' ' ILE . 76.6 mmm -70.99 -25.43 62.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.28 -175.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.55 -43.96 75.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.79 -42.86 98.39 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.945 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.539 HG12 ' HG ' ' A' ' 31' ' ' LEU . 80.6 mt -65.86 -47.35 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.792 176.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.507 ' HG3' HG12 ' A' ' 11' ' ' ILE . 59.5 ttp85 -52.93 -45.39 67.62 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.184 0.302 . . . . 0.0 110.989 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -51.77 66.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.151 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 143' ' ' ARG . 13.6 ttm180 -68.92 -38.56 79.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 16.6 mm -60.22 -47.53 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.041 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -62.97 -40.55 98.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 0.0 110.071 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -64.8 -48.1 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.909 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.99 98.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.263 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.38 69.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.648 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -76.0 -45.57 15.78 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.073 175.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--N 1.332 -0.166 0 C-N-CA 121.942 0.097 . . . . 0.0 110.902 -179.599 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' A' ' 112' ' ' PHE . . . . . . . . 0 C--O 1.234 0.273 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.71 151.69 16.94 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.357 -176.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -109.49 90.57 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 126' ' ' THR . 27.1 m -81.29 116.51 21.19 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.777 -177.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -101.82 129.12 47.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.086 0.47 . . . . 0.0 110.819 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -123.28 97.05 5.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.807 170.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.855 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 40.7 mt-10 -91.51 113.24 25.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -178.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.4 tt -120.62 125.95 74.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.185 0.517 . . . . 0.0 110.341 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 90.9 m -85.48 117.98 24.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.757 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.436 HG22 ' H ' ' A' ' 13' ' ' ALA . 44.7 mt -102.69 131.69 50.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.22 18.65 2.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.036 0.446 . . . . 0.0 111.242 -174.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.436 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -103.85 146.0 31.7 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.881 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.9 147.08 94.11 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.92 2.414 . . . . 0.0 112.197 177.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.487 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 84.8 mtp -64.63 -25.77 68.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.558 -174.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -51.37 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.408 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.518 ' HG ' ' HA ' ' A' ' 148' ' ' ALA . 2.8 tm? -67.35 -46.19 74.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.764 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.4 HG22 HG21 ' A' ' 144' ' ' ILE . 63.4 t -57.28 -45.65 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.534 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -66.56 -47.37 73.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.915 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -70.78 -27.58 64.02 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.229 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 tpt -75.28 -36.12 61.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.99 0.424 . . . . 0.0 110.627 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.5 p -82.49 -28.69 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -78.02 -28.69 49.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.368 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.523 ' OD2' ' HG3' ' A' ' 27' ' ' LYS . 15.7 t70 -84.88 84.13 7.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.577 HD11 HG22 ' A' ' 40' ' ' VAL . 17.0 pt -71.97 -8.16 10.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.258 -170.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.88 -6.46 54.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.045 0.45 . . . . 0.0 110.647 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.523 ' HG3' ' OD2' ' A' ' 24' ' ' ASP . 63.9 mttp -96.64 -9.62 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.562 ' HB2' HG21 ' A' ' 38' ' ' VAL . 40.0 m0 -57.82 -45.92 99.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.4 Cg_endo -59.87 -10.03 11.17 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.112 1.875 . . . . 0.0 113.427 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.07 -8.33 41.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.35 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.31 -36.53 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.691 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.81 132.66 43.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.948 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -83.66 -25.31 30.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.911 -175.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.43 -30.27 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -103.37 118.4 36.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.743 0.306 . . . . 0.0 110.832 -173.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.78 -28.2 50.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.265 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.409 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 20.1 t -153.98 149.01 26.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.486 177.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 28' ' ' TRP . 94.8 t -124.75 99.87 6.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -100.12 117.68 34.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.499 -171.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.577 HG22 HD11 ' A' ' 25' ' ' ILE . 23.7 t -68.07 115.8 6.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.676 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.0 tp -79.43 -40.37 30.12 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.62 156.05 27.44 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.858 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -123.13 106.08 10.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 20.3 t70 -89.11 161.52 16.47 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 171.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.66 -42.9 17.12 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -127.42 7.69 6.43 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.516 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.771 ' HG2' HG22 ' A' ' 70' ' ' VAL . 59.8 mttp -132.95 110.47 10.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 110.966 -176.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.476 HG11 HH21 ' A' ' 69' ' ' ARG . 7.4 p -102.18 119.78 50.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.478 0.656 . . . . 0.0 110.54 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.4 m -100.3 120.28 39.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.007 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.41 ' HB3' HD12 ' A' ' 25' ' ' ILE . 33.1 p90 -126.07 157.32 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.296 0.57 . . . . 0.0 111.758 -177.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.625 ' HG2' ' HB2' ' A' ' 64' ' ' SER . 61.7 ttt180 -112.04 113.4 25.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.174 177.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.754 ' O ' ' HA ' ' A' ' 64' ' ' SER . 96.3 mt -81.24 104.9 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 95.5 m -101.51 128.61 47.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.42 -174.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.406 ' HB2' ' HB2' ' A' ' 63' ' ' TRP . 38.8 mtt -108.18 -171.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.513 . . . . 0.0 110.96 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -77.77 121.34 84.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.652 176.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.525 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 74.4 Cg_exo -50.52 141.22 34.04 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.032 2.488 . . . . 0.0 112.763 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -89.54 -173.34 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.044 0.449 . . . . 0.0 111.544 -173.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.78 72.04 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.346 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -73.98 -18.42 60.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 110.621 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.96 16.76 34.63 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.807 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 37.3 mtmm -87.61 142.36 27.9 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.823 0.312 . . . . 0.0 110.484 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.18 101.89 13.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 175.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.406 ' HB2' ' HB2' ' A' ' 54' ' ' MET . 11.3 m0 -70.1 93.08 0.78 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.297 0.57 . . . . 0.0 110.099 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.754 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 9.1 p -140.58 114.5 9.0 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.605 -175.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.3 p90 -113.08 153.41 28.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.216 0.532 . . . . 0.0 111.2 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.07 129.79 43.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.847 -176.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.1 m -134.94 133.42 39.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.149 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -102.05 128.53 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.803 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.476 HH21 HG11 ' A' ' 48' ' ' VAL . 58.0 ttp85 -122.03 120.29 33.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.962 0.41 . . . . 0.0 111.371 -174.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.771 HG22 ' HG2' ' A' ' 47' ' ' LYS . 29.7 t -104.74 127.1 59.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.566 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.79 104.85 14.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.715 0.293 . . . . 0.0 110.833 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -97.29 108.57 45.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.995 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.43 -15.4 19.83 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.957 2.438 . . . . 0.0 112.938 -176.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.5 t -77.7 -50.35 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.359 0.599 . . . . 0.0 109.959 -177.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.4 p -86.32 -6.77 58.88 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.859 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? 58.99 29.81 19.46 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.035 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.8 m -115.0 115.63 27.17 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.14 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.579 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 53.3 t -92.91 113.8 28.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.23 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -106.72 113.76 27.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.329 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.49 117.29 28.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.715 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -99.93 128.13 46.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.146 0.498 . . . . 0.0 110.246 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 -93.77 100.46 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.851 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.6 -45.44 74.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.239 0.543 . . . . 0.0 110.161 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -93.04 104.9 17.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.059 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.651 HG21 ' HB2' ' A' ' 88' ' ' PHE . 11.5 m -129.96 148.55 51.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.443 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.5 -102.52 0.87 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.256 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.51 -6.23 17.97 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.024 2.482 . . . . 0.0 113.644 -174.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.651 ' HB2' HG21 ' A' ' 85' ' ' THR . 72.4 m-85 -98.27 160.32 14.37 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -85.61 -46.11 11.1 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -154.99 144.91 21.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.675 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 85.2 mtp -132.72 123.68 26.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 110.701 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.762 ' HB3' ' HB3' ' A' ' 111' ' ' ASP . 40.6 t30 -108.79 115.73 30.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.716 178.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 43.7 mt -103.6 112.13 35.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.87 0.367 . . . . 0.0 110.667 -175.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 96' ' ' GLU . 77.1 t -115.44 118.93 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 -177.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.579 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 47.1 m0 -107.22 107.67 18.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 43.5 mt-10 -105.96 121.09 43.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.883 0.373 . . . . 0.0 110.923 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -100.43 116.96 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.515 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.64 130.49 54.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.926 0.393 . . . . 0.0 111.23 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.487 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 43.2 mt-10 -73.01 115.55 12.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.492 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.8 m -123.69 156.75 35.35 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.17 -7.59 53.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.922 0.391 . . . . 0.0 111.864 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.4 -4.9 14.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.258 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.7 -169.39 29.88 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.493 -0.861 . . . . 0.0 112.56 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.2 m -97.07 112.99 24.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 90.5 t -89.68 112.84 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.406 ' HE2' ' HB3' ' A' ' 106' ' ' MET . 44.1 ttp -97.43 120.43 37.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.208 0.528 . . . . 0.0 110.567 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.855 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 74.2 mtt180 -93.05 104.97 17.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.108 178.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -85.07 87.44 7.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.733 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 5' ' ' THR . 26.4 m -97.37 105.34 17.47 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.614 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -102.11 109.6 21.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.267 0.556 . . . . 0.0 110.286 177.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.762 ' HB3' ' HB3' ' A' ' 92' ' ' ASN . 11.6 t70 -89.23 112.82 23.95 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.04 177.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.591 ' HD2' ' HG3' ' A' ' 114' ' ' MET . 45.7 p90 -113.61 129.18 56.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.114 0.483 . . . . 0.0 111.321 -174.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -111.22 108.48 18.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.435 173.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.591 ' HG3' ' HD2' ' A' ' 112' ' ' PHE . 64.1 mtp -106.46 159.58 16.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.162 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.574 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 86.8 tttt -169.31 -57.79 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.431 0 CA-C-O 119.049 -0.5 . . . . 0.0 112.216 -175.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 67.0 Cg_exo -39.29 -76.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 123.33 2.687 . . . . 0.0 115.084 -170.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -153.12 68.55 0.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.198 0.523 . . . . 0.0 109.606 -174.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -107.01 108.37 61.91 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.817 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.09 -5.88 15.43 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.7 2.266 . . . . 0.0 111.306 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.46 HG12 ' HD1' ' A' ' 124' ' ' TRP . 27.3 m -87.46 139.84 16.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.259 177.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.53 160.35 19.0 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.75 -35.94 57.06 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.33 93.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.628 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . 0.46 ' HD1' HG12 ' A' ' 120' ' ' VAL . 43.0 t-105 -74.27 -35.33 63.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.987 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.545 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 84.1 mmm -65.47 -54.37 29.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.629 176.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 5' ' ' THR . 88.6 m -57.15 -37.26 71.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.117 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.27 -53.94 45.1 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.809 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -65.91 -43.19 88.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.181 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.563 ' HB ' HG21 ' A' ' 5' ' ' THR . 75.8 mt -59.78 -52.09 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.638 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.66 -38.34 84.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.026 0.441 . . . . 0.0 110.722 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -66.5 -54.54 22.75 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.342 0.591 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -68.91 -44.38 73.25 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.186 -176.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.8 m -58.97 -39.95 83.29 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.128 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.27 -49.02 79.26 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.145 176.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.2 m -66.25 -44.77 82.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.307 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -67.45 -43.89 79.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.952 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.595 ' SD ' HD12 ' A' ' 140' ' ' ILE . 92.6 mmm -78.98 -13.57 59.71 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.038 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.86 -44.51 76.95 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.539 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 63.0 tp -55.7 -48.83 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.786 174.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.595 HD12 ' SD ' ' A' ' 137' ' ' MET . 55.2 mt -68.18 -37.56 78.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.334 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -53.59 -51.93 61.42 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.699 0.285 . . . . 0.0 110.892 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.37 -22.81 64.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.404 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 12.2 mmt180 -72.65 -43.13 63.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 140' ' ' ILE . 40.9 mm -60.98 -53.09 53.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.524 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -66.8 -24.86 66.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 150' ' ' GLU . 63.3 tt0 -70.47 -45.76 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.39 76.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.669 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.518 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -66.01 -38.11 87.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -72.74 -27.25 69.5 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.567 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 146' ' ' GLN . 4.3 tp10 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.359 0.6 . . . . 0.0 109.627 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.49 106.53 3.26 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.371 -176.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -106.52 90.35 3.31 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 HG23 ' A' ' 126' ' ' THR . 4.6 m -104.49 104.26 14.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.837 0.351 . . . . 0.0 110.962 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 33.1 t70 -106.46 102.61 11.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.107 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -108.13 111.18 23.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.226 0.536 . . . . 0.0 111.058 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.678 ' HG2' ' HD2' ' A' ' 107' ' ' ARG . 15.9 mt-10 -101.03 127.02 47.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.706 -175.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.417 HG21 ' HB3' ' A' ' 137' ' ' MET . 12.5 tt -131.28 125.84 57.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.414 0.626 . . . . 0.0 110.752 174.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 6.0 m -82.25 121.59 26.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.688 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.508 HG23 ' HG3' ' A' ' 141' ' ' ARG . 56.8 mt -104.08 127.4 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.416 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.53 70.28 10.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.232 0.539 . . . . 0.0 110.543 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.89 152.92 24.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.228 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.482 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.2 Cg_endo -64.19 141.24 75.06 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.819 2.346 . . . . 0.0 112.416 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 86.5 mtp -59.76 -26.48 65.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.139 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -46.29 -64.4 0.76 Allowed 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.896 0.747 . . . . 0.0 111.338 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.531 ' HA ' HG22 ' A' ' 20' ' ' THR . 29.9 tp -76.86 -34.76 57.8 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.863 -174.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG22 HG21 ' A' ' 144' ' ' ILE . 66.2 t -54.95 -55.47 15.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.742 0.306 . . . . 0.0 110.615 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.3 t-105 -64.66 -47.99 76.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.001 -176.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 17' ' ' LEU . 4.0 t -70.3 -24.48 63.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.864 -172.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.7 ttm -87.68 -41.57 13.27 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.275 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.6 p -67.48 -29.23 68.62 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.307 0.575 . . . . 0.0 110.62 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -78.96 -22.63 45.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.614 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.43 89.8 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.552 0.691 . . . . 0.0 109.457 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.655 ' HB ' HG11 ' A' ' 38' ' ' VAL . 24.7 pt -73.24 -16.08 17.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.303 -172.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.55 -17.78 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.61 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -114.95 13.86 17.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.039 0.447 . . . . 0.0 110.901 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 22.4 m0 -57.57 -48.1 97.83 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 33.7 Cg_endo -64.29 -1.07 3.34 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.192 1.928 . . . . 0.0 113.303 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -92.98 -24.25 23.18 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.668 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.28 -36.08 5.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.033 0.444 . . . . 0.0 110.632 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.626 ' HE1' ' HB3' ' A' ' 136' ' ' GLN . 3.8 t80 -106.9 130.07 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.162 -175.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 p -92.08 -1.21 57.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -170.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -90.34 -29.02 18.34 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -172.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -104.24 137.51 42.05 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.861 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.2 -44.76 11.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.379 -178.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -141.4 132.1 25.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.756 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.655 HG11 ' HB ' ' A' ' 25' ' ' ILE . 90.5 t -112.29 107.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 173.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -116.1 133.34 56.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.95 0.405 . . . . 0.0 111.695 -170.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.587 HG22 HD11 ' A' ' 25' ' ' ILE . 21.3 t -84.34 115.23 26.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 51' ' ' ARG . 77.7 mt -89.65 -38.05 14.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.002 0.429 . . . . 0.0 110.429 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.22 165.23 38.46 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -142.38 170.87 14.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 117.758 0.779 . . . . 0.0 110.718 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.76 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 15.0 m-20 -130.64 179.21 6.08 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 170.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.25 -34.58 68.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.754 0.311 . . . . 0.0 111.133 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -124.46 11.84 8.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.199 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.76 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -125.25 150.64 46.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.779 0.323 . . . . 0.0 111.269 -174.106 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.5 p -132.88 112.56 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.598 167.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.536 HG23 ' HG2' ' A' ' 68' ' ' GLU . 21.6 m -98.0 105.3 17.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.824 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -121.74 160.98 23.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.094 0.473 . . . . 0.0 111.39 -174.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.536 ' HB2' HD11 ' A' ' 41' ' ' LEU . 47.3 ttp180 -106.88 121.28 44.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.563 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.516 HD21 ' HZ3' ' A' ' 28' ' ' TRP . 27.4 mt -84.69 96.83 9.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.996 176.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.9 m -87.35 96.5 10.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.433 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.5 ttt -81.82 164.31 21.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.674 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -53.1 128.71 48.69 Favored Pre-proline 0 N--CA 1.463 0.205 0 CA-C-O 120.931 0.396 . . . . 0.0 111.215 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.83 ' HB3' HG22 ' A' ' 62' ' ' VAL . 36.2 Cg_endo -65.43 134.24 37.86 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.989 2.459 . . . . 0.0 112.746 -177.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.17 165.67 23.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.578 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.39 -24.21 67.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.961 0.41 . . . . 0.0 110.72 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.02 -24.04 65.87 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.113 173.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.88 63.23 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -172.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -75.35 108.83 8.4 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.952 0.406 . . . . 0.0 110.164 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.83 HG22 ' HB3' ' A' ' 56' ' ' PRO . 15.4 t -90.75 110.62 22.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -74.55 96.26 2.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.308 0.575 . . . . 0.0 110.471 -174.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 6.6 m -119.51 111.73 18.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.703 -177.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 48.0 p90 -124.76 149.84 46.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.5 t -89.97 132.7 33.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.763 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -138.84 142.21 38.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.536 ' HG2' HG23 ' A' ' 49' ' ' THR . 42.3 mt-10 -107.84 131.7 54.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.805 0.336 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HD2' HG12 ' A' ' 78' ' ' VAL . 47.9 ttp180 -121.34 136.94 54.9 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.455 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 1.9 m -110.66 137.63 42.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.421 174.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.78 96.49 5.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.959 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.26 107.92 49.99 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.402 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.5 -21.33 46.58 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.889 2.393 . . . . 0.0 112.387 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.06 -55.22 20.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.7 p -89.52 -3.33 58.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.174 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 76' ' ' ARG . 64.6 mtt85 59.05 33.44 22.95 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.428 0.632 . . . . 0.0 110.043 -176.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.475 HG23 HG13 ' A' ' 94' ' ' VAL . 98.3 m -113.65 115.39 27.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.963 -177.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.486 HG12 ' HD2' ' A' ' 69' ' ' ARG . 23.7 t -111.16 94.21 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.284 175.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -108.26 138.39 44.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.025 0.44 . . . . 0.0 111.42 -173.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . . . -114.7 121.56 43.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.289 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -95.04 117.12 29.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.553 0.692 . . . . 0.0 110.31 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.632 ' HB3' ' HB2' ' A' ' 91' ' ' MET . 75.3 ttt180 -90.67 95.88 10.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.576 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.56 -46.22 49.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.55 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 32.4 mt-10 -86.66 102.75 14.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.738 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 88' ' ' PHE . 4.0 m -141.08 139.08 33.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 178.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.36 -72.9 1.24 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.986 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.437 ' HG2' ' CD1' ' A' ' 88' ' ' PHE . 58.0 Cg_endo -73.14 -4.13 14.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.636 2.224 . . . . 0.0 113.62 -176.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.685 ' HB2' HG21 ' A' ' 85' ' ' THR . 73.3 m-85 -120.55 155.02 34.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -84.4 -47.38 10.73 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 91.6 t80 -149.73 137.56 20.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.922 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.632 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 80.2 mtp -129.47 115.51 17.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.726 0.298 . . . . 0.0 110.628 177.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 30.6 t30 -110.09 106.35 15.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.013 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.534 HG23 ' HG2' ' A' ' 110' ' ' GLN . 53.5 mt -98.46 101.8 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.003 0.43 . . . . 0.0 110.295 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.594 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 85.0 t -93.75 116.81 35.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.198 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -95.03 94.65 8.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -97.26 130.55 44.45 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -103.71 118.3 36.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.052 0.453 . . . . 0.0 110.376 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.14 147.84 28.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.362 -176.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -77.99 135.84 37.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 103' ' ' GLY . 10.5 m -146.68 156.28 43.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 173.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.32 -11.54 57.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.347 -175.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -115.08 10.12 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.431 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.469 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 150.27 -169.37 30.26 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.001 -1.095 . . . . 0.0 112.834 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 m -107.71 120.04 41.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 70.0 t -86.09 116.2 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.965 0.412 . . . . 0.0 110.427 179.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 45.8 ttp -98.43 115.41 28.44 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.678 ' HD2' ' HG2' ' A' ' 8' ' ' GLU . 25.4 mtm180 -108.68 112.75 25.22 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.282 -173.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -89.46 89.91 8.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.009 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.594 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 4.0 m -87.99 92.85 9.29 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.644 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.534 ' HG2' HG23 ' A' ' 93' ' ' ILE . 54.5 mt-30 -90.1 98.22 11.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -98.53 104.31 16.33 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.003 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -127.27 148.05 50.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.517 0.675 . . . . 0.0 111.826 -173.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.92 127.05 53.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.991 177.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.439 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 68.4 mtp -109.38 141.17 42.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.097 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.502 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 14.0 mmmm -150.86 -48.87 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.53 -173.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.502 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 2.3 Cg_endo -43.89 164.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 122.86 2.373 . . . . 0.0 113.061 168.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -84.07 35.7 0.54 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.741 0.781 . . . . 0.0 110.775 -170.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.84 137.63 83.14 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.23 177.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.26 -43.23 36.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.107 2.538 . . . . 0.0 113.006 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.0 m -87.36 141.55 14.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.148 0.499 . . . . 0.0 110.784 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -89.27 175.8 7.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.831 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.46 -30.88 71.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.086 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.16 97.23 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.812 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -62.05 -42.19 98.92 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.198 0.523 . . . . 0.0 110.18 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.452 ' O ' HG13 ' A' ' 129' ' ' ILE . 86.8 mmm -65.71 -50.34 65.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.35 -177.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.498 HG23 HG23 ' A' ' 5' ' ' THR . 93.8 m -54.34 -41.68 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.73 -45.73 77.75 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.694 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -65.62 -39.84 91.91 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 125' ' ' MET . 85.2 mt -63.73 -39.57 85.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.5 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.366 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -58.68 -45.85 88.52 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.186 0.517 . . . . 0.0 110.57 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -67.37 -45.87 75.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.37 0.605 . . . . 0.0 110.554 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.14 -44.81 87.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.372 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 137' ' ' MET . 55.0 p -62.47 -52.68 62.54 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.725 -178.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -49.66 -44.41 47.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.666 0.269 . . . . 0.0 111.264 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 21.8 m -68.39 -55.05 13.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.625 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.626 ' HB3' ' HE1' ' A' ' 32' ' ' PHE . 82.7 mm-40 -70.56 -43.55 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.474 -174.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -63.94 -33.58 76.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.635 -178.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.25 91.95 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.702 0.287 . . . . 0.0 110.273 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.75 -48.99 79.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.642 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.439 ' O ' HG12 ' A' ' 144' ' ' ILE . 74.8 mt -65.66 -45.13 93.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.98 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.508 ' HG3' HG23 ' A' ' 11' ' ' ILE . 52.2 ttt180 -53.93 -48.52 70.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.421 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -56.26 -38.55 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.975 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 143' ' ' ARG . 8.9 mmt180 -69.41 -42.33 75.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.126 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.484 HG21 HG22 ' A' ' 18' ' ' VAL . 47.1 mm -59.34 -49.37 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.06 0.457 . . . . 0.0 110.477 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.94 -41.59 97.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.792 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -60.4 -50.81 72.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.419 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.99 88.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.39 94.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.466 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -75.28 -19.22 79.74 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.404 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.71 0.291 . . . . 0.0 110.848 177.226 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.26 138.01 15.53 Favored Glycine 0 N--CA 1.442 -0.931 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -120.23 87.76 2.81 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.2 m -83.72 99.02 9.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.969 0.414 . . . . 0.0 110.185 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -94.97 95.5 8.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.445 -177.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -97.04 98.47 10.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.99 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.813 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 47.4 mt-10 -89.23 117.32 28.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.74 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 tt -125.27 132.22 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.067 0.461 . . . . 0.0 110.089 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.4 HG21 ' HG3' ' A' ' 102' ' ' GLU . 16.6 m -93.68 136.81 33.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.795 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 13' ' ' ALA . 55.7 mt -119.24 134.2 63.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.14 18.52 1.36 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.002 0.429 . . . . 0.0 112.0 -174.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -104.38 142.43 24.6 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.502 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.9 Cg_exo -58.96 141.76 98.59 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.779 2.319 . . . . 0.0 111.918 177.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.2 mtp -56.4 -28.53 59.61 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -173.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HG3' ' H ' ' A' ' 17' ' ' LEU . 8.6 pt-20 -55.34 -61.32 2.41 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.988 0.18 . . . . 0.0 111.416 -178.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.601 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 35.8 tp -66.26 -35.8 81.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.651 0.205 . . . . 0.0 110.994 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 14' ' ' PRO . 96.8 t -53.02 -59.08 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 121.374 -0.13 . . . . 0.0 110.965 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -63.05 -40.25 97.16 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.601 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 11.5 m -52.29 -34.36 46.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.945 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.4 mmm -89.8 -45.08 9.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.519 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.1 p -77.57 -21.54 52.32 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -64.68 -42.73 95.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 110.599 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.575 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 66.0 t0 -77.99 109.33 11.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.059 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.567 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 26.4 pt -74.74 -12.98 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.558 -175.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.68 -6.8 59.57 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.15 0.5 . . . . 0.0 110.309 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HD2' ' HB3' ' A' ' 24' ' ' ASP . 48.1 mttp -96.46 -11.82 25.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.554 176.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.572 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 43.2 m0 -57.58 -45.24 99.87 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -176.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 14.9 Cg_endo -57.75 -18.51 34.15 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.171 1.914 . . . . 0.0 113.082 178.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.15 -21.3 25.54 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.016 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 mp -95.46 -52.47 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.687 0.28 . . . . 0.0 110.934 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 34' ' ' GLU . 24.4 t80 -96.42 107.66 20.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.1 m -84.91 55.37 3.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.903 -172.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 33.3 tt0 -148.51 -11.99 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -102.17 126.37 49.12 Favored 'General case' 0 CA--C 1.52 -0.207 0 O-C-N 121.666 -0.646 . . . . 0.0 110.64 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.63 -44.87 18.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.704 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.562 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 49.7 m -130.75 131.57 44.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.304 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.0 t -111.98 99.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 170.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.621 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 34.5 mt-10 -94.25 110.91 22.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.915 -171.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 t -76.48 99.47 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.386 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -77.02 -43.35 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.33 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.81 -164.0 37.6 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.837 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.572 ' HB3' HG23 ' A' ' 48' ' ' VAL . 42.2 ptt85 -166.64 161.52 15.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.836 0.35 . . . . 0.0 110.636 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -130.98 90.9 2.96 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 61.01 -83.94 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.212 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -102.48 -25.18 13.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.028 0.442 . . . . 0.0 111.074 -175.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -96.06 112.17 23.98 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.423 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.572 HG23 ' HB3' ' A' ' 43' ' ' ARG . 11.1 p -99.48 145.4 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.276 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.5 m -122.33 119.48 31.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 26.8 p90 -133.62 166.6 22.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.641 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.621 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 50.7 ttt180 -119.81 117.98 29.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.639 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 64' ' ' SER . 94.9 mt -93.06 117.88 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.218 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 91.4 m -121.24 128.41 52.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.566 -175.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 46.7 mtt -105.46 -169.77 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.773 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -58.95 157.18 21.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.911 171.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' A' ' 62' ' ' VAL . 56.4 Cg_endo -71.64 159.83 49.93 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.306 2.004 . . . . 0.0 112.234 175.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -83.23 -171.79 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.72 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.56 -34.77 58.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.029 0.442 . . . . 0.0 110.681 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.17 -21.2 27.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.39 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.27 -3.48 6.74 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.361 -0.923 . . . . 0.0 113.659 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -63.03 110.26 1.75 Allowed 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 117.561 0.68 . . . . 0.0 110.43 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.55 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 7.1 p -80.71 118.89 29.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 173.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -76.16 89.62 3.08 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.764 0.793 . . . . 0.0 110.932 -171.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 25.3 t -123.8 139.64 53.78 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.061 -1.427 . . . . 0.0 109.661 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.492 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 14.2 p90 -148.46 133.27 17.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.233 0.54 . . . . 0.0 111.636 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.3 t -73.21 126.4 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.277 175.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.539 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 15.0 m -128.07 143.15 51.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.217 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -113.58 128.06 56.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.266 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.451 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 48.0 ttp180 -117.45 118.14 31.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.824 0.345 . . . . 0.0 111.523 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.78 109.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.44 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.17 110.38 20.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.672 0.272 . . . . 0.0 111.248 -176.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -103.97 108.19 59.16 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.854 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.78 -35.89 34.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 123.036 2.49 . . . . 0.0 112.974 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 t -72.88 -40.66 60.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.159 0.504 . . . . 0.0 110.796 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.1 m -82.38 -12.75 57.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.168 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 59.97 33.08 21.39 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.56 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.517 HG23 ' HG2' ' A' ' 96' ' ' GLU . 29.8 m -129.76 124.77 34.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.586 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.546 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 47.8 t -116.96 124.53 73.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -109.06 112.9 25.33 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.04 104.34 11.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.985 0.421 . . . . 0.0 110.918 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -102.32 142.14 34.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.399 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -106.1 105.21 15.14 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.237 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.8 t -57.1 -43.81 82.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.36 0.6 . . . . 0.0 109.587 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 39.2 mt-10 -91.64 97.39 11.0 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 170.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.757 HG22 ' HB2' ' A' ' 88' ' ' PHE . 4.4 m -86.8 -25.96 24.34 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -174.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.443 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 97.6 -127.59 9.27 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.102 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.443 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 3.0 Cg_exo -76.78 -8.93 18.22 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.197 2.598 . . . . 0.0 112.263 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.757 ' HB2' HG22 ' A' ' 85' ' ' THR . 46.1 m-85 -83.91 172.33 12.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.765 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' A' ' 113' ' ' ALA . 58.0 tt0 -92.54 -43.34 9.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.163 0.506 . . . . 0.0 109.988 178.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.63 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 39.0 t80 -159.43 148.32 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.58 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.459 ' HB3' HG23 ' A' ' 85' ' ' THR . 53.0 ttm -157.1 127.08 6.29 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.015 0.436 . . . . 0.0 111.5 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -132.92 117.56 17.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.489 175.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.553 HG12 ' HG3' ' A' ' 110' ' ' GLN . 19.6 mt -95.05 118.48 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.575 -175.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.542 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 43.1 t -103.63 118.89 51.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.747 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.546 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 40.5 m0 -99.17 101.64 13.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.517 ' HG2' HG23 ' A' ' 77' ' ' THR . 41.1 mt-10 -103.28 112.68 25.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.966 0.413 . . . . 0.0 110.47 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -90.45 118.68 30.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.435 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.423 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -108.17 108.98 20.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.39 104.54 2.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.5 m -122.11 162.05 21.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.906 -175.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.48 -21.61 63.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.235 0.541 . . . . 0.0 110.331 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.4 ' HG3' HG21 ' A' ' 10' ' ' THR . 9.0 tp10 -70.65 -18.46 62.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.794 175.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.52 -169.0 20.86 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -174.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.6 m -81.16 103.22 10.81 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -84.65 101.48 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.538 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.493 ' HE2' ' HB3' ' A' ' 106' ' ' MET . 36.5 ttp -92.98 115.47 28.15 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.26 0.552 . . . . 0.0 110.118 -179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.813 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 63.1 mtp85 -90.4 108.96 20.11 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.132 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -90.5 83.47 5.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.147 0.498 . . . . 0.0 109.835 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.542 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 10.2 m -85.8 94.74 9.21 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.82 179.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.553 ' HG3' HG12 ' A' ' 93' ' ' ILE . 31.4 tt0 -89.2 100.45 13.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.7 109.28 20.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.593 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.507 ' HD2' ' HG2' ' A' ' 114' ' ' MET . 50.6 p90 -126.51 145.72 50.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.16 0.505 . . . . 0.0 111.133 -175.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.63 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -113.19 133.32 55.11 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.507 ' HG2' ' HD2' ' A' ' 112' ' ' PHE . 96.7 mmm -127.95 104.94 8.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.859 0.361 . . . . 0.0 111.547 -176.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.574 ' HB3' ' NZ ' ' A' ' 115' ' ' LYS . 8.2 mtpm? -144.59 30.44 0.09 OUTLIER Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 175.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 115' ' ' LYS . 93.5 Cg_endo -83.91 17.0 1.78 Allowed 'Trans proline' 0 C--N 1.362 1.251 0 CA-C-N 121.145 1.445 . . . . 0.0 110.224 168.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.17 37.43 11.34 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.254 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.474 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -72.02 135.83 82.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.161 178.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 10.6 Cg_exo -72.93 48.66 1.44 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.674 2.916 . . . . 0.0 113.1 -177.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.9 m -115.65 139.99 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.762 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -80.21 11.69 3.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 69.42 -50.26 0.61 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.772 0.829 . . . . 0.0 110.442 -173.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.02 70.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -63.04 -37.06 85.67 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 121.156 0.503 . . . . 0.0 110.133 176.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 92.4 mmm -71.7 -46.99 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.978 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 41.9 m -56.4 -41.71 76.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 7.1 t70 -58.89 -55.22 37.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.718 176.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -44.75 88.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.625 -176.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.96 -40.6 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.679 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.57 -55.54 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.621 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 33.9 mtt180 -61.41 -42.71 99.16 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 -178.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -63.39 -52.32 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.735 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 137' ' ' MET . 21.6 m -63.58 -42.97 98.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -55.16 -47.5 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.326 . . . . 0.0 110.478 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 26.0 m -67.04 -54.8 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.193 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -61.08 -43.6 98.64 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.474 ' SD ' HD12 ' A' ' 140' ' ' ILE . 82.9 mmm -75.52 -15.75 60.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.988 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.5 62.71 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 172.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.45 -40.09 81.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.617 173.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.474 HD12 ' SD ' ' A' ' 137' ' ' MET . 42.8 mt -70.66 -44.78 76.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.53 176.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -51.44 -49.89 60.8 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 122.9 0.125 . . . . 0.0 110.822 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -53.3 -55.04 27.91 Favored 'General case' 0 CA--C 1.52 -0.21 0 O-C-N 123.418 0.449 . . . . 0.0 111.286 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 143' ' ' ARG . 50.0 mtm-85 -71.38 -31.21 67.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.068 -175.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.8 mm -68.13 -49.07 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.013 0.435 . . . . 0.0 110.133 175.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.55 -43.73 98.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.176 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -64.14 -43.86 93.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.16 93.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.011 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.413 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -65.98 -36.86 84.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.74 83.94 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.233 -0.508 . . . . 0.0 112.469 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 0.0 110.352 176.468 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.76 166.2 13.55 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.089 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -126.12 101.3 6.71 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.872 0.368 . . . . 0.0 110.844 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.485 HG23 HG23 ' A' ' 126' ' ' THR . 28.2 m -86.99 109.52 19.44 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 175.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.81 96.07 5.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.164 0.507 . . . . 0.0 110.19 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.544 ' ND2' ' HB2' ' A' ' 108' ' ' TRP . 1.2 p-10 -107.19 103.28 12.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.566 0.698 . . . . 0.0 110.435 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.993 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 38.1 mt-10 -88.17 130.35 35.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.801 -177.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 137' ' ' MET . 50.0 mm -122.02 112.78 36.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.183 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 20.4 m -80.77 106.65 12.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.644 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.466 HG12 ' HG2' ' A' ' 141' ' ' ARG . 58.7 mt -94.35 133.37 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.974 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.25 26.8 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.968 0.413 . . . . 0.0 111.821 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.91 143.4 36.67 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.855 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HG2' HD13 ' A' ' 17' ' ' LEU . 29.4 Cg_endo -63.89 152.48 80.56 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' A' ' 99' ' ' GLU . 75.0 mtp -59.92 -32.81 71.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.094 -173.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -63.23 -47.25 83.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.01 0.433 . . . . 0.0 110.63 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.785 HD23 ' HB1' ' A' ' 148' ' ' ALA . 9.9 mp -72.44 -34.09 67.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.552 -178.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.501 ' HA ' HD11 ' A' ' 144' ' ' ILE . 91.5 t -63.76 -47.47 90.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.051 174.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.465 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 15.6 t-105 -59.02 -54.43 47.19 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.803 -178.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.8 t -65.17 -26.87 68.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.63 0.234 . . . . 0.0 111.63 -175.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 75.4 mmm -82.99 -39.31 21.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 p -88.99 -7.24 56.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.845 0.355 . . . . 0.0 111.418 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.651 ' HA ' HH12 ' A' ' 69' ' ' ARG . 62.6 t30 -72.91 -28.8 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.545 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.679 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 11.6 m-20 -81.79 104.3 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.497 HD12 HG12 ' A' ' 38' ' ' VAL . 34.6 pt -70.04 -18.28 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.168 0.509 . . . . 0.0 110.899 -176.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.66 -5.17 38.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.645 177.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.679 ' HD2' ' HB2' ' A' ' 24' ' ' ASP . 91.3 mttt -100.8 -11.79 19.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.108 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.54 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 45.3 m0 -59.87 -50.69 85.34 Favored Pre-proline 0 C--O 1.224 -0.278 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.864 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 16.0 Cg_endo -57.83 -17.12 28.48 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.251 1.967 . . . . 0.0 113.042 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.72 -36.9 21.42 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.966 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.451 HD23 HG23 ' A' ' 140' ' ' ILE . 9.3 mp -93.62 -20.65 19.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.625 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.462 ' CE1' HD11 ' A' ' 140' ' ' ILE . 4.4 m-85 -97.81 147.55 24.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.531 0.682 . . . . 0.0 112.332 -177.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.9 m -101.56 -28.82 12.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.779 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.24 -52.37 8.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.011 0.434 . . . . 0.0 111.293 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -82.97 108.32 16.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.652 -174.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.91 59.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.928 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.529 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 49.8 m -149.76 136.83 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.193 0.521 . . . . 0.0 110.83 178.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.497 HG12 HD12 ' A' ' 25' ' ' ILE . 90.2 t -128.68 102.11 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.977 178.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -120.28 156.04 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.474 -0.491 . . . . 0.0 112.219 -173.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.413 ' CG2' HD11 ' A' ' 25' ' ' ILE . 41.0 t -90.4 116.01 30.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.595 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.487 HD11 ' HD2' ' A' ' 51' ' ' ARG . 83.8 mt -81.04 -38.93 26.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.55 157.14 29.49 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -144.68 137.13 26.38 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 118.241 1.021 . . . . 0.0 110.923 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -115.67 51.2 0.95 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 61.23 -79.51 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.339 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -65.45 -37.74 87.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.043 0.449 . . . . 0.0 109.868 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -115.58 115.12 25.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.822 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 69' ' ' ARG . 5.9 p -99.64 119.14 47.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.155 0.502 . . . . 0.0 110.151 175.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -86.31 96.51 9.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.882 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 69' ' ' ARG . 34.1 p90 -107.38 154.77 20.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.75 -174.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HD2' HD11 ' A' ' 41' ' ' LEU . 70.2 ttt180 -112.26 118.94 36.68 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.878 178.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.743 ' O ' ' HA ' ' A' ' 64' ' ' SER . 80.7 mt -84.57 111.48 19.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.027 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.529 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 25.5 m -101.2 114.76 29.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.97 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.4 ' HB3' ' H ' ' A' ' 55' ' ' HIS . 44.9 mtt -96.19 -157.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.657 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.4 ' H ' ' HB3' ' A' ' 54' ' ' MET . 76.8 t60 -89.86 139.15 27.58 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.219 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.795 ' HG3' HG22 ' A' ' 62' ' ' VAL . 76.2 Cg_exo -51.55 125.38 16.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.22 2.613 . . . . 0.0 112.236 174.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -79.44 169.97 17.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.697 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -13.93 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.735 0.302 . . . . 0.0 111.442 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.63 -15.53 62.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.403 0.621 . . . . 0.0 110.003 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.28 27.15 31.38 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.257 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -130.81 138.72 50.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.795 HG22 ' HG3' ' A' ' 56' ' ' PRO . 21.7 t -82.8 123.64 38.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.881 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -72.96 94.24 1.83 Allowed 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.393 0.615 . . . . 0.0 109.773 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.743 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 5.8 p -133.28 103.6 6.06 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.171 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -111.35 162.11 15.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.072 0.463 . . . . 0.0 111.502 -175.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.8 t -96.18 130.32 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.837 -176.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 m -138.83 154.76 48.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.115 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -109.24 126.26 53.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.569 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.651 HH12 ' HA ' ' A' ' 23' ' ' ASN . 23.7 ttp180 -108.37 110.36 21.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.942 0.401 . . . . 0.0 110.493 177.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 t -97.85 106.27 18.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.722 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.03 105.44 17.58 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.158 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 21.4 t70 -110.85 112.18 56.09 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.944 0.402 . . . . 0.0 111.116 -178.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 12.2 Cg_exo -70.77 -21.35 28.92 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.164 2.576 . . . . 0.0 112.373 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.6 -54.19 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.773 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 m -74.6 -15.17 60.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.039 0.447 . . . . 0.0 110.084 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 62.12 43.73 8.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.073 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.413 HG23 ' HA ' ' A' ' 96' ' ' GLU . 92.7 m -150.03 139.63 21.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.698 -174.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 63.9 t -107.37 131.52 57.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.096 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -110.96 116.87 31.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.702 0.287 . . . . 0.0 110.751 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -111.93 95.15 5.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.054 0.455 . . . . 0.0 110.444 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -98.85 130.25 45.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.155 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -93.0 110.18 21.64 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.102 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.32 -46.45 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -84.39 109.33 17.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.946 174.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.9 p -95.02 -55.24 3.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.872 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.434 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 99.6 -114.01 4.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.009 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.434 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 7.4 Cg_exo -74.25 -6.77 18.89 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.025 2.483 . . . . 0.0 112.326 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -106.36 170.23 8.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.632 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -97.26 -40.31 8.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.077 0.465 . . . . 0.0 109.954 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -150.02 144.42 25.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.865 -177.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.3 ttm -153.11 110.58 3.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 110.532 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -117.33 108.83 16.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.471 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.531 HG23 ' HG2' ' A' ' 110' ' ' GLN . 35.6 mt -92.11 108.03 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.909 0.385 . . . . 0.0 110.274 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.7 t -93.94 111.73 25.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.513 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 20.9 m0 -86.24 83.32 7.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.655 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 33.1 tt0 -90.11 111.2 22.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.476 -174.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.418 ' HE2' HG23 ' A' ' 78' ' ' VAL . 92.8 m-85 -91.28 122.29 33.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.958 0.408 . . . . 0.0 110.772 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.563 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.9 113.88 27.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.464 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 41.6 tt0 -77.94 101.56 6.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.539 -177.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.8 m -114.31 158.45 21.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.483 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.75 -7.83 56.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.265 0.555 . . . . 0.0 110.581 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -91.24 -4.17 56.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.049 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.46 -179.69 16.57 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.686 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 56.4 m -81.45 106.87 13.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -80.18 97.5 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 40.9 ttp -86.07 110.93 19.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.429 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.993 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 91.2 mtt180 -90.07 112.59 24.08 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.095 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.544 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 5.3 m95 -92.05 84.92 5.37 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 170.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.1 m -88.12 98.27 11.45 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.695 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.531 ' HG2' HG23 ' A' ' 93' ' ' ILE . 75.5 mt-30 -88.95 104.78 17.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.124 0.487 . . . . 0.0 110.349 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -83.16 101.53 11.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.864 176.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -119.6 145.25 46.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.26 0.552 . . . . 0.0 111.088 -175.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -130.69 121.02 24.75 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.886 176.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 39.9 ttm -100.88 145.45 28.58 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.9 ' HA ' ' HE3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -131.58 -55.19 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.969 -175.024 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.569 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 9.3 Cg_endo -55.14 -18.37 17.52 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.094 1.863 . . . . 0.0 113.511 174.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 68.05 78.29 0.23 Allowed 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.363 0.601 . . . . 0.0 111.328 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.54 167.59 29.11 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.651 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -68.22 1.25 3.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.617 2.211 . . . . 0.0 112.929 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 28.0 m -109.09 121.03 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.23 0.538 . . . . 0.0 110.361 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.85 176.02 8.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.629 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.78 -47.92 64.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.624 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.23 84.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.543 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -65.88 -49.37 68.31 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 68.1 mtp -59.68 -52.48 65.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.098 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.485 HG23 HG23 ' A' ' 5' ' ' THR . 95.2 m -56.71 -44.47 81.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.479 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.11 -44.0 81.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.916 0.389 . . . . 0.0 110.507 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.95 -46.71 77.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.801 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.45 HD13 ' OE1' ' A' ' 110' ' ' GLN . 96.2 mt -64.22 -40.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.988 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -57.2 -47.84 80.26 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.019 0.438 . . . . 0.0 110.339 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -58.19 -49.07 78.33 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.132 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -62.18 -48.11 81.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.976 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.7 t -64.99 -36.63 85.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.825 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 134' ' ' ARG . 30.2 ttt85 -56.29 -49.91 72.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.972 0.415 . . . . 0.0 110.661 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.2 m -71.78 -47.35 54.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -64.09 -46.06 85.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.823 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.521 ' HB3' HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -78.34 -21.96 48.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.534 -175.734 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.86 98.08 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 143' ' ' ARG . 49.6 tp -57.46 -47.51 81.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.92 174.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.462 HD11 ' CE1' ' A' ' 32' ' ' PHE . 74.0 mt -56.65 -46.17 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.908 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.466 ' HG2' HG12 ' A' ' 11' ' ' ILE . 38.1 mtm105 -49.71 -63.13 1.2 Allowed 'General case' 0 CA--C 1.519 -0.232 0 O-C-N 123.382 0.426 . . . . 0.0 111.795 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.36 -32.88 74.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.838 -174.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 139' ' ' LEU . 17.0 mtp180 -72.33 -45.46 59.84 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.252 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.501 HD11 ' HA ' ' A' ' 18' ' ' VAL . 14.3 tt -72.02 -27.38 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.078 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.2 -42.88 83.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.34 -46.53 79.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.887 175.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.68 83.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.422 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.785 ' HB1' HD23 ' A' ' 17' ' ' LEU . . . -75.03 -35.45 61.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.779 178.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -63.15 -47.1 91.14 Favored Glycine 0 C--N 1.331 0.285 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.157 0.503 . . . . 0.0 109.681 173.319 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.15 163.22 12.6 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.02 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -125.87 132.85 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.576 ' HB ' ' HB2' ' A' ' 110' ' ' GLN . 7.1 m -136.46 155.52 49.88 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -139.44 107.71 5.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.551 0.691 . . . . 0.0 110.229 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.86 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 15.9 m120 -97.52 91.61 5.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.813 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.479 ' HG2' ' CB ' ' A' ' 107' ' ' ARG . 9.0 mt-10 -95.21 125.09 39.61 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.08 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.855 HG13 ' HB3' ' A' ' 137' ' ' MET . 28.4 mm -121.18 122.15 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.29 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -78.57 103.85 8.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.195 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.555 HG12 ' HG3' ' A' ' 141' ' ' ARG . 40.1 mt -97.94 124.42 50.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 110.77 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.73 55.12 3.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.235 0.54 . . . . 0.0 110.67 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.49 148.07 54.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.895 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 148' ' ' ALA . 52.7 Cg_exo -56.07 135.89 72.15 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.146 2.564 . . . . 0.0 112.274 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.48 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 84.9 mtp -57.49 -40.87 79.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.05 -174.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.81 -42.61 97.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' HA ' HG22 ' A' ' 20' ' ' THR . 25.2 tp -72.77 -40.56 65.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.7 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -58.23 -42.38 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.243 0.545 . . . . 0.0 110.297 174.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -65.46 -48.28 73.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.94 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.491 HG22 ' HA ' ' A' ' 17' ' ' LEU . 14.3 t -70.97 -31.73 68.38 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.476 -176.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.2 mtp -76.06 -24.41 55.13 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.169 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 p -85.87 -20.29 29.3 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.451 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -79.42 -28.55 41.76 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 170.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.52 61.56 0.7 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.868 170.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.589 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 12.1 pt -59.88 -24.15 28.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.039 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.3 -15.64 60.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.912 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -95.21 -1.22 52.12 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.385 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.589 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 43.4 m0 -58.0 -42.8 97.05 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.4 Cg_endo -61.67 -14.69 37.37 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.047 1.832 . . . . 0.0 112.766 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.02 -12.16 62.3 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.529 HD23 HG23 ' A' ' 140' ' ' ILE . 11.0 mp -96.81 -55.49 2.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CE2' HD13 ' A' ' 139' ' ' LEU . 14.2 t80 -114.49 148.39 37.93 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 p -98.97 20.57 13.03 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -167.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -102.92 -30.26 10.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.958 0.408 . . . . 0.0 111.107 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -74.84 138.64 42.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.237 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.36 -76.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.044 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 m -130.06 109.44 10.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 0.0 110.983 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.65 HG22 ' HG ' ' A' ' 52' ' ' LEU . 43.4 t -88.26 106.31 16.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -93.86 112.05 23.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.054 0.454 . . . . 0.0 110.975 -173.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.446 HG22 HD11 ' A' ' 25' ' ' ILE . 46.7 t -77.45 112.83 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.729 176.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.499 HD12 HG22 ' A' ' 49' ' ' THR . 84.5 mt -85.75 -19.27 31.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.153 0.501 . . . . 0.0 110.297 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.36 164.79 10.44 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.445 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 36.6 ptt85 -122.91 109.45 14.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.264 0.554 . . . . 0.0 110.457 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -89.31 86.48 6.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.482 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.69 -85.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.526 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -102.39 -27.61 12.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.335 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.837 ' HG2' HG22 ' A' ' 70' ' ' VAL . 99.5 mttt -88.84 100.51 13.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.593 0.235 . . . . 0.0 111.015 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.557 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 7.0 p -88.69 114.13 26.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.456 0.646 . . . . 0.0 109.351 173.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.499 HG22 HD12 ' A' ' 41' ' ' LEU . 15.8 m -90.56 124.11 34.76 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.278 -176.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.401 ' HB3' HD12 ' A' ' 25' ' ' ILE . 37.8 p90 -133.05 135.89 45.63 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.482 0.658 . . . . 0.0 111.253 178.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 65' ' ' TRP . 41.1 ttt180 -105.27 103.5 13.05 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.638 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.65 ' HG ' HG22 ' A' ' 38' ' ' VAL . 5.0 tt -83.1 110.64 18.18 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.0 m -77.23 118.63 19.92 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.432 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 71.5 mtp -82.73 152.76 25.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.319 -175.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -60.64 145.32 87.86 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.905 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -44.2 123.03 4.03 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.495 2.797 . . . . 0.0 113.175 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.08 157.88 14.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.438 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.78 -30.05 63.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.202 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.82 -29.13 55.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.912 0.387 . . . . 0.0 110.818 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.63 -24.52 4.61 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.297 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.56 148.14 43.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 111.326 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.4 t -105.96 119.74 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -100.64 -175.25 2.85 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.783 0.801 . . . . 0.0 111.491 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.6 m -166.84 173.78 9.15 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.894 -1.503 . . . . 0.0 108.698 -176.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.565 ' CZ2' HD13 ' A' ' 52' ' ' LEU . 8.9 p90 -150.24 142.6 24.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.295 167.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' H ' ' HB3' ' A' ' 84' ' ' GLU . 48.1 t -99.35 117.06 43.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.084 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 p -138.74 149.29 44.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.723 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -114.08 128.28 56.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.242 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HB3' HG13 ' A' ' 48' ' ' VAL . 14.5 ttt180 -101.81 108.77 20.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.637 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.837 HG22 ' HG2' ' A' ' 47' ' ' LYS . 25.9 t -91.77 105.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.569 176.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.404 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -95.69 105.76 17.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.443 -176.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.9 99.89 18.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.388 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 22.0 Cg_exo -65.08 -43.37 11.68 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 123.06 2.507 . . . . 0.0 112.645 -175.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.36 -39.82 85.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.124 0.488 . . . . 0.0 110.481 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 m -79.69 -12.8 59.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.239 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? 60.98 27.32 17.21 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 110.717 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.0 m -128.48 115.19 17.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.989 0.423 . . . . 0.0 111.164 -173.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.604 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 70.3 t -98.74 111.58 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 175.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -93.42 102.65 14.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.996 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.28 99.83 11.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.298 0.57 . . . . 0.0 109.746 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -92.53 116.46 29.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.594 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.586 ' HB3' ' HB2' ' A' ' 91' ' ' MET . 0.7 OUTLIER -83.72 98.72 9.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.665 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.08 -47.12 82.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.31 0.576 . . . . 0.0 110.268 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' HB3' ' H ' ' A' ' 66' ' ' VAL . 42.0 tt0 -88.26 97.96 11.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.631 177.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.464 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 5.5 p -91.27 -62.95 1.33 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.899 -176.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.99 -108.33 3.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.739 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.17 -13.92 37.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.909 2.406 . . . . 0.0 111.678 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.464 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 58.5 m-85 -97.67 158.23 15.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.491 178.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -91.19 -58.53 2.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.194 0.521 . . . . 0.0 109.886 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.485 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 68.1 t80 -143.71 126.73 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.769 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.586 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 95.4 mmm -112.89 104.0 11.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.512 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.754 ' HB3' ' HB2' ' A' ' 111' ' ' ASP . 11.7 t30 -100.03 96.76 7.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.558 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.5 mt -101.32 102.26 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.226 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.562 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 65.7 t -98.59 111.68 28.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.008 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.604 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 19.1 m0 -89.11 91.84 8.96 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 173.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -92.1 125.21 36.69 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -97.57 115.74 28.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.78 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.442 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.08 112.28 25.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.161 0.505 . . . . 0.0 111.017 -177.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.48 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 41.9 mt-10 -66.86 104.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.722 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 m -128.68 158.55 38.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.242 -174.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.52 -41.6 69.88 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -176.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.53 -21.27 60.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.331 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.81 -169.26 29.96 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.239 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 m -80.85 100.87 9.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.99 0.424 . . . . 0.0 110.008 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.442 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 60.1 t -82.3 100.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.031 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 52.6 ttp -93.21 115.17 27.79 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.479 ' CB ' ' HG2' ' A' ' 8' ' ' GLU . 31.4 ptt180 -114.56 129.07 56.63 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.781 0.8 . . . . 0.0 112.061 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.86 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 11.5 m0 -81.48 88.71 6.14 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.132 -1.395 . . . . 0.0 110.138 177.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.562 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 63.5 m -76.64 108.28 9.53 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.751 175.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.822 HE21 ' HB3' ' A' ' 108' ' ' TRP . 80.5 mm-40 -98.38 108.26 20.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.947 -175.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.754 ' HB2' ' HB3' ' A' ' 92' ' ' ASN . 32.1 m-20 -106.53 93.46 4.6 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 171.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -108.8 130.11 55.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.351 0.596 . . . . 0.0 111.611 -172.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -113.2 116.8 30.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.48 174.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.4 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 23.0 ptm -159.32 151.25 20.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.159 -177.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.536 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 6.5 tmtt? -175.54 -54.66 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 O-C-N 123.309 0.381 . . . . 0.0 110.955 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 3.9 Cg_endo -45.87 111.72 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 122.976 2.451 . . . . 0.0 113.464 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.19 -16.75 0.5 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.114 174.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -86.73 120.38 71.77 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.751 0.31 . . . . 0.0 110.801 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 18.5 Cg_endo -87.65 77.58 1.76 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.813 2.342 . . . . 0.0 111.862 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.31 149.68 33.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.643 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -108.88 24.34 13.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 71.32 -56.99 0.62 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.751 -174.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.45 -41.91 66.62 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.522 0.514 . . . . 0.0 111.201 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -52.0 -56.62 13.16 Favored 'General case' 0 C--O 1.228 -0.066 0 O-C-N 123.615 0.572 . . . . 0.0 110.745 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.44 ' O ' HG13 ' A' ' 129' ' ' ILE . 95.7 mmm -65.88 -42.09 90.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 -177.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 62.1 m -54.15 -52.73 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.324 0.39 . . . . 0.0 111.483 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.507 ' HA ' ' ND2' ' A' ' 130' ' ' ASN . 24.4 t70 -82.01 -26.66 33.65 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.008 -175.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -63.16 -42.96 99.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.585 HG21 ' HG3' ' A' ' 110' ' ' GLN . 74.4 mt -60.16 -41.12 85.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.193 175.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.514 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 95.4 m-20 -52.6 -54.38 33.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.802 0.334 . . . . 0.0 110.427 176.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -60.07 -50.05 75.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.479 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.91 -48.76 73.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.325 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.4 t -66.64 -42.24 87.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.247 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.514 ' NH1' ' HB3' ' A' ' 130' ' ' ASN . 47.6 mtm-85 -61.38 -40.58 94.86 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.473 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 58.4 m -59.47 -49.47 77.65 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 120.9 0.381 . . . . 0.0 110.327 177.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -60.31 -57.59 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.89 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.855 ' HB3' HG13 ' A' ' 9' ' ' ILE . 31.0 mmt -63.01 -37.33 86.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.513 -173.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.87 86.69 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.486 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.49 HD13 ' CE2' ' A' ' 32' ' ' PHE . 8.2 tt -67.48 -46.28 73.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.099 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.529 HG23 HD23 ' A' ' 31' ' ' LEU . 66.5 mt -65.74 -38.21 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.293 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.555 ' HG3' HG12 ' A' ' 11' ' ' ILE . 13.3 ttp180 -54.93 -50.35 69.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.223 175.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.94 -35.38 73.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.106 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -69.99 -43.62 71.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.607 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 31.2 mm -62.52 -52.42 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.753 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.83 -35.14 78.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -62.64 -49.56 74.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.086 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.36 92.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.916 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 14' ' ' PRO . . . -69.63 -15.58 63.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -93.62 -41.13 4.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.432 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.672 -0.264 . . . . 0.0 111.277 177.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.526 ' HA ' ' O ' ' A' ' 114' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.445 0.164 . . . . 0.0 111.283 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -170.33 117.38 0.53 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.93 173.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.54 128.35 6.92 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.249 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -100.52 99.22 9.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.983 0.421 . . . . 0.0 110.464 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m -96.6 116.67 29.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.12 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -116.72 87.85 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.849 0.357 . . . . 0.0 110.309 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.554 ' OD1' ' HA ' ' A' ' 130' ' ' ASN . 2.1 m120 -98.85 115.54 29.06 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.475 0.655 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 22.5 mt-10 -113.16 140.24 48.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.087 -175.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.463 HD11 ' HD3' ' A' ' 141' ' ' ARG . 17.5 tt -143.56 139.86 26.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.846 0.355 . . . . 0.0 110.673 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.7 m -86.99 132.51 33.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.379 -175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.493 HG12 ' HG3' ' A' ' 141' ' ' ARG . 20.2 mt -124.23 141.09 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.49 21.74 5.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.929 0.395 . . . . 0.0 111.252 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . -95.17 140.99 22.64 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 13' ' ' ALA . 22.5 Cg_exo -64.48 148.16 90.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.954 2.436 . . . . 0.0 112.171 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 79.1 mmm -49.3 -41.84 39.5 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.053 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -54.03 -53.9 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.46 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.581 ' HA ' HG22 ' A' ' 20' ' ' THR . 6.1 tp -73.1 -37.18 66.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.431 -174.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.528 ' HA ' HD11 ' A' ' 144' ' ' ILE . 96.8 t -57.03 -48.0 82.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.003 0.43 . . . . 0.0 110.703 175.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -66.38 -53.43 36.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.624 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 17' ' ' LEU . 11.6 t -65.49 -34.28 77.91 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.5 tpp -69.28 -43.77 73.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.85 0.357 . . . . 0.0 110.703 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.8 p -74.39 -19.32 60.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.463 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -81.97 -23.43 36.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.818 0.342 . . . . 0.0 110.608 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -85.52 81.75 8.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.352 0.596 . . . . 0.0 109.4 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.625 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 29.8 pt -68.69 -14.5 18.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.893 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.9 -16.15 61.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.253 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -103.06 2.4 34.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.275 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.625 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 38.3 m0 -56.74 -43.38 99.34 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.67 -16.15 23.59 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.181 1.921 . . . . 0.0 113.277 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.29 -7.59 72.72 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.097 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.839 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 7.3 mp -118.91 -39.66 2.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.153 0.502 . . . . 0.0 110.214 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.82 112.35 24.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.273 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.7 m -81.59 -5.98 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.882 178.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' HG2' ' HE2' ' A' ' 54' ' ' MET . 32.3 tt0 -75.16 -21.95 58.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.881 -175.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -115.66 173.22 6.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.024 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.25 -33.28 3.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.871 0.367 . . . . 0.0 111.16 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.533 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 50.8 m -148.94 140.7 23.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.89 0.376 . . . . 0.0 111.08 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 28' ' ' TRP . 64.7 t -121.08 102.27 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.26 126.18 47.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.258 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.615 HG22 HD11 ' A' ' 25' ' ' ILE . 3.5 t -84.64 102.1 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.4 -44.01 68.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.296 0.569 . . . . 0.0 109.93 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.39 156.16 25.66 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.527 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -121.56 108.81 14.04 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.223 0.535 . . . . 0.0 110.461 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.494 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 37.4 t70 -92.94 58.95 3.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.338 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 59.78 -83.91 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.702 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -78.44 -36.16 45.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.536 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.862 ' HG2' HG22 ' A' ' 70' ' ' VAL . 77.2 mttt -89.49 111.2 22.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.453 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.538 HG13 ' HB3' ' A' ' 69' ' ' ARG . 7.6 p -98.66 105.82 17.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-O 121.661 0.743 . . . . 0.0 109.001 170.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.5 m -94.88 118.09 31.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.181 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.438 ' HB3' HD12 ' A' ' 25' ' ' ILE . 19.7 p90 -128.58 164.52 22.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.44 0.638 . . . . 0.0 111.891 -174.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -112.21 114.51 27.35 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.273 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.544 ' O ' ' HA ' ' A' ' 64' ' ' SER . 63.3 mt -84.77 104.49 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.982 0.42 . . . . 0.0 110.263 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.533 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 38.9 m -102.96 126.62 50.2 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.567 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.44 ' HE2' ' HG2' ' A' ' 34' ' ' GLU . 42.0 mtt -101.35 175.26 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.683 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -71.73 153.55 93.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.304 172.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.652 ' HG3' HG22 ' A' ' 62' ' ' VAL . 28.1 Cg_exo -61.83 154.88 58.01 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.775 2.317 . . . . 0.0 112.757 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 61' ' ' LYS . 18.4 p30 -81.82 -167.0 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.91 -21.31 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.103 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.46 -3.66 43.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.233 0.539 . . . . 0.0 110.247 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.4 17.79 51.48 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.126 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 87.7 tttt -94.1 127.21 39.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.67 0.271 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.652 HG22 ' HG3' ' A' ' 56' ' ' PRO . 42.7 t -85.43 134.92 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.43 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -105.26 136.58 44.53 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.979 0.419 . . . . 0.0 110.597 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 73.9 p -156.35 147.36 22.12 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.673 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.573 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 47.8 p90 -148.32 149.76 32.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.0 136.08 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -139.55 146.43 39.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.503 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -104.78 119.54 39.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.412 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.538 ' HB3' HG13 ' A' ' 48' ' ' VAL . 71.3 ttt-85 -106.35 107.26 18.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.918 0.39 . . . . 0.0 110.034 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.862 HG22 ' HG2' ' A' ' 47' ' ' LYS . 24.1 t -94.05 128.56 45.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.733 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.492 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -93.26 110.92 22.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.494 175.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -105.41 92.34 5.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 13.0 Cg_exo -69.87 -26.92 26.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.138 2.558 . . . . 0.0 113.426 -170.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.9 t -66.67 -46.34 86.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.829 0.347 . . . . 0.0 111.383 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 p -98.91 10.79 40.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.378 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 64.2 mtt180 55.31 44.32 27.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.25 0.548 . . . . 0.0 109.863 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -119.48 139.28 52.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.439 -172.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.554 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 91.0 t -114.79 126.7 72.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 172.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 79' ' ' ARG . 33.6 mtt180 -111.73 102.66 10.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.355 -177.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.05 99.45 9.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.945 0.403 . . . . 0.0 110.753 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -102.02 138.15 39.36 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.017 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -89.42 122.52 32.71 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.756 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.4 t -73.43 -49.65 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.386 0.612 . . . . 0.0 109.564 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 42.5 mt-10 -96.69 121.0 38.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.323 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.412 ' OG1' ' HB2' ' A' ' 88' ' ' PHE . 5.5 t -159.27 145.76 16.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.896 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -111.23 -82.96 1.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.541 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.57 -24.35 74.77 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.966 2.444 . . . . 0.0 112.809 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HB2' ' OG1' ' A' ' 85' ' ' THR . 81.6 m-85 -95.54 101.12 12.8 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -60.61 -39.62 88.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.906 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -135.14 141.96 46.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.398 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 42.7 ttm -159.11 108.61 1.92 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.254 0.549 . . . . 0.0 111.326 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -124.71 115.94 21.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.119 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.53 HG23 ' HG2' ' A' ' 110' ' ' GLN . 23.8 mt -99.02 106.46 18.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.989 0.423 . . . . 0.0 110.337 -176.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 97.0 t -98.32 112.79 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.055 -177.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.554 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 26.4 m0 -98.26 102.15 13.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -98.44 129.99 45.05 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -101.37 115.11 29.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.067 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.477 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.78 107.33 18.27 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.077 -175.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.472 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 36.0 tt0 -68.21 106.5 2.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.913 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.4 m -120.88 163.22 18.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.151 -175.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.83 -29.5 66.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.52 -24.5 42.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 0.0 110.775 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.61 -169.44 27.8 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.695 -173.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.3 m -79.89 108.96 13.87 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.866 0.365 . . . . 0.0 110.41 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.477 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 98.7 t -82.5 117.89 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 49.0 ttp -94.85 118.35 31.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.061 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.444 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 40.3 ttm180 -105.8 114.71 29.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.698 -177.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -96.3 91.36 5.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.163 0.506 . . . . 0.0 110.443 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.573 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 92.0 m -89.73 98.62 11.87 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.796 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.53 ' HG2' HG23 ' A' ' 93' ' ' ILE . 86.1 mt-30 -95.39 102.93 14.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.386 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -89.01 98.36 11.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -124.97 146.08 49.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.068 0.461 . . . . 0.0 110.495 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -130.26 108.21 9.85 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.836 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.567 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 60.7 mtp -98.84 141.29 31.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.178 0.514 . . . . 0.0 110.813 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.454 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 1.8 ttpm? -164.51 -56.98 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.502 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.454 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 11.6 Cg_endo -55.81 101.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.253 1.969 . . . . 0.0 112.749 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.9 t70 56.66 36.24 27.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.3 112.71 49.87 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -81.03 -2.14 11.59 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.786 2.324 . . . . 0.0 112.019 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 124' ' ' TRP . 9.3 m -115.76 156.77 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.752 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.682 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 38.8 t70 -97.3 29.51 3.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.324 -174.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 69.44 -48.43 0.6 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.161 -178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.44 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.682 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 95.7 m95 -60.0 -41.36 91.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.436 175.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 96.8 mmm -67.16 -50.48 61.02 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.87 177.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 98.4 m -51.96 -46.54 64.83 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.548 0.53 . . . . 0.0 111.589 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 18.9 t70 -57.79 -49.86 75.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 110.48 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -66.67 -37.85 85.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.704 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 125' ' ' MET . 75.6 mt -62.82 -45.98 97.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.554 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 13.9 m120 -53.36 -46.69 69.69 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.102 0.477 . . . . 0.0 110.411 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 81.8 mtt-85 -67.96 -51.15 50.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.068 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -66.33 -32.03 73.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.609 ' O ' ' HB2' ' A' ' 137' ' ' MET . 18.3 t -59.85 -43.87 94.4 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 130' ' ' ASN . 67.4 mtm180 -58.79 -40.53 84.3 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.152 176.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.8 m -64.93 -60.03 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.277 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -71.88 -44.11 64.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.188 -173.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.609 ' HB2' ' O ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -66.34 -36.76 83.74 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 121.256 -0.178 . . . . 0.0 110.985 -177.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.08 -36.77 75.16 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.473 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.13 -51.44 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.551 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.489 HG23 HD23 ' A' ' 31' ' ' LEU . 75.8 mt -64.94 -39.55 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.261 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 137' ' ' MET . 16.2 ttp85 -52.0 -56.34 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.993 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -69.12 -40.12 78.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.839 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 9.4 tpt180 -52.4 -52.63 52.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.017 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' A' ' 18' ' ' VAL . 15.7 tt -76.32 -30.31 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.56 -38.08 83.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.034 0.445 . . . . 0.0 109.844 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.99 -37.0 85.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.354 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.07 -38.55 85.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.31 -19.3 60.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.073 0.463 . . . . 0.0 110.878 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -85.24 -30.85 24.15 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.349 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -72.21 -51.14 22.47 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -107.08 115.15 29.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.934 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -64.09 -14.59 55.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.868 -169.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.482 HG22 ' H ' ' A' ' 154' ' ' ALA . 2.1 m 60.33 -136.59 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.482 ' H ' HG22 ' A' ' 153' ' ' THR . . . -109.39 127.61 54.49 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.073 -0.392 . . . . 0.0 110.176 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 11.3 p -115.7 173.98 6.26 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.871 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 35.8 t -74.14 79.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.539 ' HA ' ' HB2' ' A' ' 160' ' ' LEU . 50.8 tp -172.03 -30.83 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.091 -174.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.36 -38.66 74.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.289 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -111.86 27.06 10.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.053 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.539 ' HB2' ' HA ' ' A' ' 157' ' ' LEU . 33.1 tp -54.55 -40.6 68.86 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.22 0.533 . . . . 0.0 109.611 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -107.58 124.76 50.42 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 167.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.84 164.67 21.46 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -82.31 -6.62 59.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -162.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 58.6 19.44 6.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.935 0.397 . . . . 0.0 111.396 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -119.55 121.7 39.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.305 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -92.07 -2.95 56.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.203 0.525 . . . . 0.0 109.834 173.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.271 175.157 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.593 0.235 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.6 136.64 17.37 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.5 124.04 12.39 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.431 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -121.93 92.26 3.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.953 0.406 . . . . 0.0 109.997 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.538 ' OG1' ' HB2' ' A' ' 110' ' ' GLN . 3.0 p -101.69 101.93 12.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.47 -178.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 30.6 t70 -94.58 100.41 12.38 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.504 HD21 ' HB ' ' A' ' 5' ' ' THR . 34.6 m-80 -105.97 102.04 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.927 0.394 . . . . 0.0 111.102 -175.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.824 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 27.6 mt-10 -92.09 130.12 37.89 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 -179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.411 HG21 ' HB3' ' A' ' 137' ' ' MET . 6.0 tp -129.96 112.5 24.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.308 0.575 . . . . 0.0 109.936 173.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.405 HG23 HG22 ' A' ' 105' ' ' VAL . 9.3 m -79.7 113.42 17.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.432 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.543 HD13 HG21 ' A' ' 144' ' ' ILE . 62.0 mt -106.51 129.15 60.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.205 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.4 71.46 9.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.25 0.548 . . . . 0.0 110.305 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.43 149.43 24.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.858 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.49 ' O ' HG23 ' A' ' 18' ' ' VAL . 35.1 Cg_exo -62.11 137.83 68.94 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.008 2.472 . . . . 0.0 112.049 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 75.3 mtp -61.8 -20.82 64.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.253 -174.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.99 -60.36 3.99 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.675 0.274 . . . . 0.0 110.735 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.644 ' HA ' HG22 ' A' ' 20' ' ' THR . 23.1 tp -69.42 -31.69 70.19 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.607 ' HA ' HD11 ' A' ' 144' ' ' ILE . 89.8 t -56.94 -50.9 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.684 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -65.93 -49.91 66.28 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.56 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 17' ' ' LEU . 13.9 t -67.15 -17.01 64.66 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -173.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 83.4 mtp -93.34 -45.72 7.69 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.328 177.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.665 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 45.5 p -80.22 -22.33 41.94 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.767 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 12.8 t30 -86.01 -26.27 25.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.706 0.289 . . . . 0.0 110.923 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.53 ' OD2' ' HG2' ' A' ' 27' ' ' LYS . 13.6 t70 -79.3 97.98 6.5 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.621 HD11 HG22 ' A' ' 40' ' ' VAL . 20.4 pt -63.37 -21.06 27.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.158 -169.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.95 3.07 43.67 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.059 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.53 ' HG2' ' OD2' ' A' ' 24' ' ' ASP . 47.7 mmtm -92.09 -20.2 21.52 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.521 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 48.5 m0 -55.01 -51.12 82.15 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.938 -175.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.9 Cg_endo -59.04 -18.35 42.8 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.302 2.001 . . . . 0.0 113.301 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.23 -27.07 56.42 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.788 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.35 -45.41 5.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.771 0.32 . . . . 0.0 110.573 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -94.27 119.85 33.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.943 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 p -73.08 -32.15 64.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -173.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.38 -29.63 67.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -170.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -86.42 137.86 32.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' A' ' 55' ' ' HIS . . . -96.67 -58.54 2.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.653 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.4 m -134.59 135.32 42.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG11 ' HB ' ' A' ' 25' ' ' ILE . 66.5 t -104.08 106.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -93.87 119.61 33.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.989 -172.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.621 HG22 HD11 ' A' ' 25' ' ' ILE . 32.0 t -81.67 99.46 4.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.8 0.334 . . . . 0.0 110.245 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.45 -44.61 70.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.916 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.13 161.87 33.04 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.846 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -107.23 161.42 14.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.93 0.395 . . . . 0.0 110.154 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.761 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 30.6 t70 -138.07 159.45 42.0 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -49.66 -42.11 44.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.018 0.437 . . . . 0.0 111.638 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -124.4 10.07 8.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.407 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.889 ' HG2' HG22 ' A' ' 70' ' ' VAL . 40.2 mttp -137.57 178.03 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 111.739 -175.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.0 p -148.38 117.83 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.588 167.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.434 HG23 ' HG2' ' A' ' 68' ' ' GLU . 9.2 m -90.19 113.69 25.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.943 -177.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -127.31 161.01 29.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.168 0.508 . . . . 0.0 111.413 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -113.83 112.59 23.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.283 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 64' ' ' SER . 46.3 mt -81.51 106.1 13.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.585 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.6 p -102.4 120.07 39.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.7 mtt -82.47 172.01 13.49 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.459 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.433 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 38.0 p-80 -59.98 141.04 90.16 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.415 178.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -51.96 119.47 5.75 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.696 2.264 . . . . 0.0 111.931 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.46 159.38 34.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.671 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.39 -26.8 54.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.453 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.19 -5.45 41.91 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.121 0.486 . . . . 0.0 111.038 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.69 14.35 61.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.783 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -109.58 142.67 40.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.992 0.425 . . . . 0.0 111.048 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.57 102.07 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.088 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -69.59 107.28 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.675 0.75 . . . . 0.0 110.721 -175.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.591 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 6.6 m -126.68 141.8 51.74 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.629 -175.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -144.49 149.46 35.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.802 0.334 . . . . 0.0 110.404 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -81.77 129.6 37.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.505 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.9 t -141.78 147.47 37.37 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HG2' HG23 ' A' ' 49' ' ' THR . 42.9 mt-10 -118.77 132.07 56.13 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.82 -178.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 31.6 ttt85 -101.74 107.12 18.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.37 176.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.889 HG22 ' HG2' ' A' ' 47' ' ' LYS . 40.0 t -88.75 105.52 15.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.687 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HA ' HG22 ' A' ' 78' ' ' VAL . . . -107.72 108.21 19.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.664 0.269 . . . . 0.0 111.556 -175.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 22.9 t70 -104.95 106.03 53.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 12.5 Cg_exo -70.63 -23.28 27.01 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 123.154 2.569 . . . . 0.0 112.839 -175.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.4 t -71.12 -52.09 29.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.114 0.483 . . . . 0.0 110.368 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -80.42 -15.29 57.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.04 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 60.85 39.63 16.73 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.032 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.5 m -131.46 130.88 43.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.779 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.586 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 97.7 t -119.01 136.21 56.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.233 -176.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.469 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 99.5 mtt180 -110.94 110.39 20.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.615 178.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.89 94.26 6.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -93.13 133.11 36.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.932 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 ttt-85 -85.04 106.67 16.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.093 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.3 -48.55 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.032 0.444 . . . . 0.0 110.432 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -90.19 150.08 22.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.686 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 17.1 p -121.81 -91.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.59 -107.82 3.44 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.231 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.77 -2.61 11.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.837 2.358 . . . . 0.0 112.326 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.686 ' O ' ' HB ' ' A' ' 85' ' ' THR . 96.3 m-85 -123.01 155.13 37.46 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -95.24 -37.55 10.97 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.9 0.381 . . . . 0.0 110.494 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -149.51 146.65 27.5 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 54.7 ttm -160.02 110.67 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 0.0 111.29 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -128.72 113.62 15.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.877 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.524 HG23 ' HG2' ' A' ' 110' ' ' GLN . 44.5 mt -95.16 113.53 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.516 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.575 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 38.4 t -93.84 120.79 43.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.397 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.665 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.2 m0 -97.57 98.22 9.72 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.843 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 48.5 mt-10 -91.0 114.17 26.62 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.409 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -91.48 109.26 20.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.464 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.78 121.21 43.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.046 0.451 . . . . 0.0 111.287 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.41 122.68 18.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.533 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' ' 103' ' ' GLY . 1.9 m -135.06 153.96 51.86 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.17 -14.46 57.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.318 0.58 . . . . 0.0 110.335 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.89 17.9 20.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.596 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.502 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 135.34 -169.23 23.48 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.272 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.3 m -109.43 117.3 33.67 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -91.44 102.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 44.7 ttp -92.98 118.64 31.39 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.843 ' HB2' ' HB2' ' A' ' 96' ' ' GLU . 35.8 mtp85 -103.21 114.62 29.06 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.489 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 3.8 m0 -89.39 82.49 6.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.845 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.575 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 8.7 m -87.64 94.97 9.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.981 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.538 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 85.8 mt-30 -91.64 109.38 20.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.786 -177.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -95.73 100.75 12.43 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -128.37 169.47 14.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.892 0.377 . . . . 0.0 110.443 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.34 128.44 12.76 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.522 ' C ' ' HD2' ' A' ' 116' ' ' PRO . 39.1 mtp -92.95 -119.61 0.09 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 119.118 -0.468 . . . . 0.0 110.139 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 114' ' ' MET . 23.5 mtpp 109.22 -32.75 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.037 1.335 . . . . 0.0 113.355 174.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.522 ' HD2' ' C ' ' A' ' 114' ' ' MET . 64.8 Cg_exo -44.75 159.31 0.13 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.278 1.319 . . . . 0.0 111.48 164.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -75.92 27.37 0.11 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.357 -173.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 116' ' ' PRO . . . -66.88 143.07 97.82 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.124 177.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.86 -44.54 46.52 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.905 2.404 . . . . 0.0 112.456 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.607 HG12 ' HD1' ' A' ' 124' ' ' TRP . 27.4 m -81.68 135.35 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.075 175.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.84 -177.57 3.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.35 -42.76 67.13 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.641 0.588 . . . . 0.0 111.342 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.04 -45.63 48.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.035 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.607 ' HD1' HG12 ' A' ' 120' ' ' VAL . 68.0 t-105 -69.16 -33.6 73.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 120.958 0.409 . . . . 0.0 110.254 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.514 ' HA ' ' CE ' ' A' ' 125' ' ' MET . 1.1 mmt -62.53 -38.93 91.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.088 173.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.517 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 87.8 m -56.55 -49.99 73.19 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.267 0.354 . . . . 0.0 110.989 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 8.8 t70 -57.22 -50.33 73.19 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.995 0.426 . . . . 0.0 110.793 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -62.38 -47.4 84.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.41 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.92 -41.11 84.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.058 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.438 HD22 ' HA ' ' A' ' 130' ' ' ASN . 7.2 m120 -56.71 -48.83 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.874 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 38.6 mtt-85 -69.63 -51.25 36.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -64.54 -46.03 84.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.286 -174.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.8 m -68.02 -34.37 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.103 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -56.46 -48.64 76.66 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.0 m -68.91 -47.77 64.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.369 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -65.77 -46.47 78.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.727 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.411 ' HB3' HG21 ' A' ' 9' ' ' ILE . 89.3 mmm -68.28 -30.05 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.66 89.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.606 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.45 -48.1 81.12 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.03 0.443 . . . . 0.0 110.235 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.33 -42.57 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.276 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.492 ' HA ' HG22 ' A' ' 144' ' ' ILE . 1.1 tmt_? -59.74 -42.65 93.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.937 177.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 11.6 t70 -60.84 -49.44 77.45 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 143' ' ' ARG . 53.9 mmt-85 -62.74 -45.5 92.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.808 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 18' ' ' VAL . 17.5 tt -70.43 -31.54 47.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 121.126 -0.229 . . . . 0.0 111.475 -174.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.1 -35.38 66.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.452 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 99.4 mt-30 -61.31 -42.49 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.179 0.514 . . . . 0.0 109.724 173.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.23 85.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.324 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.424 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . . . -71.55 -20.64 62.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 111.551 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -83.92 -38.8 9.96 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.201 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.58 -50.37 65.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.392 0.615 . . . . 0.0 110.436 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.458 ' HE ' ' HB2' ' A' ' 155' ' ' SER . 45.0 mtt85 -117.38 119.65 35.76 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.819 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -87.46 -1.46 57.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.062 -174.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 15.0 t -159.22 169.74 23.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.243 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.428 ' HB2' HG21 ' A' ' 20' ' ' THR . . . -65.78 100.8 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.127 0.489 . . . . 0.0 110.872 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.458 ' HB2' ' HE ' ' A' ' 151' ' ' ARG . 10.6 m -86.17 118.9 25.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.677 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 40.6 t -84.66 143.9 10.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.513 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 53.4 tp -92.62 117.82 30.37 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.481 ' HB3' ' HG3' ' A' ' 161' ' ' GLU . . . -103.97 155.66 18.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 -174.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.456 ' HA ' ' HE1' ' A' ' 164' ' ' HIS . 18.6 t70 -91.73 -19.09 22.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.473 0.654 . . . . 0.0 109.569 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.5 tp -76.76 1.33 17.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.481 ' HG3' ' HB3' ' A' ' 158' ' ' ALA . 48.7 mt-10 -77.03 120.15 21.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.213 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -64.75 -43.36 93.57 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -120.13 113.65 20.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 168.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . 0.508 ' HB2' ' H ' ' A' ' 167' ' ' HIS . 66.8 m-70 -83.14 166.61 18.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.085 0.469 . . . . 0.0 111.184 -170.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.4 45.01 0.63 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.82 171.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -174.61 -52.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . 0.508 ' H ' ' HB2' ' A' ' 164' ' ' HIS . 78.9 t60 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.371 -0.823 . . . . 0.0 110.122 177.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.8 mtm . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.945 0.403 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -137.16 149.02 47.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.101 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -110.92 105.99 1.98 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -91.5 92.86 8.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.75 0.31 . . . . 0.0 110.234 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.45 HG21 ' CG2' ' A' ' 129' ' ' ILE . 12.0 m -91.93 101.7 14.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.118 178.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -104.36 88.73 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.629 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -90.0 111.48 22.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.059 0.457 . . . . 0.0 109.822 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.573 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 32.5 mt-10 -103.91 116.36 32.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.708 -175.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 137' ' ' MET . 15.6 tt -126.56 134.46 66.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.143 0.497 . . . . 0.0 110.919 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.8 m -89.37 116.82 27.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.86 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.1 mt -102.23 127.72 55.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.865 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.58 68.22 10.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.153 0.502 . . . . 0.0 110.627 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.63 148.95 19.31 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.606 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.537 ' O ' HG23 ' A' ' 18' ' ' VAL . 20.4 Cg_endo -60.99 138.73 80.55 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.281 2.654 . . . . 0.0 112.344 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.49 ' HG2' ' OG1' ' A' ' 104' ' ' THR . 78.3 mtp -58.23 -36.1 72.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.56 -172.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.17 -56.03 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -174.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.651 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 22.6 tp -64.21 -32.67 74.34 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 122.458 -0.151 . . . . 0.0 111.246 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 14' ' ' PRO . 96.2 t -60.52 -53.36 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.922 0.392 . . . . 0.0 110.082 175.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.414 ' CZ2' ' HB1' ' A' ' 71' ' ' ALA . 47.0 t-105 -56.13 -45.3 79.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.958 0.885 . . . . 0.0 109.655 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.651 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 4.5 m -57.5 -43.5 84.26 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.176 -1.374 . . . . 0.0 112.18 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 96.6 mmm -71.03 -40.11 71.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.47 0.176 . . . . 0.0 111.399 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.6 p -75.82 -14.16 60.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.34 . . . . 0.0 111.494 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -77.94 -24.98 48.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.734 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.474 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 13.4 t0 -79.23 81.97 5.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.589 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 28.6 pt -65.7 -24.92 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.805 -171.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.22 -22.91 61.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.839 0.352 . . . . 0.0 111.315 -175.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HZ3' ' CG ' ' A' ' 24' ' ' ASP . 56.0 mttp -100.07 9.12 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.589 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 41.0 m0 -56.78 -48.27 97.58 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.769 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 15.5 Cg_endo -57.81 -19.74 40.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.391 2.061 . . . . 0.0 113.085 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.24 -23.98 77.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.832 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.39 -47.33 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.178 0.513 . . . . 0.0 110.398 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -78.91 166.38 22.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.468 -176.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 p -124.74 29.68 6.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -125.86 -25.41 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -174.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -117.27 160.31 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.228 -0.295 . . . . 0.0 111.207 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.93 -63.0 1.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.325 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.579 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 35.9 m -118.39 111.71 19.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.965 0.412 . . . . 0.0 111.002 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.1 t -102.39 103.3 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -103.56 132.43 49.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -174.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.535 HG22 HD11 ' A' ' 25' ' ' ILE . 21.5 t -77.89 125.61 37.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.227 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.9 mt -95.2 -19.73 19.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.353 0.596 . . . . 0.0 109.852 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.18 -176.85 23.99 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -156.23 137.53 13.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 117.614 0.707 . . . . 0.0 111.856 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.663 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 38.7 t70 -91.83 72.5 5.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.676 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.9 t70 61.72 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.542 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -95.12 -27.78 15.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.782 0.325 . . . . 0.0 110.905 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.709 ' HG2' HG22 ' A' ' 70' ' ' VAL . 97.3 mttt -79.97 97.31 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.748 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 69' ' ' ARG . 10.9 p -89.2 121.17 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.505 0.669 . . . . 0.0 110.309 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 m -100.63 113.9 27.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.618 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.466 ' HB3' HD12 ' A' ' 25' ' ' ILE . 43.6 p90 -123.71 155.99 36.8 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.517 0.675 . . . . 0.0 111.679 -176.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -102.86 113.04 26.14 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.677 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 64' ' ' SER . 13.1 mt -85.32 90.66 7.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.747 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 64.2 m -83.8 97.77 9.35 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.633 0.73 . . . . 0.0 109.042 172.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 12.5 ttt -82.77 157.33 23.28 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.123 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 18.3 p-80 -58.72 139.17 86.35 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.393 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HG3' HG22 ' A' ' 62' ' ' VAL . 26.6 Cg_exo -62.63 140.05 78.93 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.597 2.198 . . . . 0.0 112.029 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.608 ' HB2' ' CZ2' ' A' ' 63' ' ' TRP . 17.7 t70 -79.58 170.04 17.14 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.36 -21.12 63.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.331 0.586 . . . . 0.0 109.948 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.43 -25.0 68.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.779 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.42 -2.61 68.03 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.098 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -83.09 129.64 35.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.431 HG22 ' HG3' ' A' ' 56' ' ' PRO . 41.6 t -96.44 108.56 21.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 176.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.608 ' CZ2' ' HB2' ' A' ' 57' ' ' ASP . 4.7 m0 -79.34 103.49 9.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.312 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 17.0 t -125.64 102.79 7.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 21.1 p90 -121.61 171.63 8.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.952 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.7 t -96.4 144.64 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.076 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -143.11 141.46 31.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.832 0.348 . . . . 0.0 110.184 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -109.4 128.47 55.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.374 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 30.9 ttp85 -118.37 105.84 12.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.867 0.365 . . . . 0.0 110.048 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.709 HG22 ' HG2' ' A' ' 47' ' ' LYS . 40.0 t -90.54 118.2 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.798 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.434 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -105.91 113.65 27.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.537 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -103.1 100.79 18.4 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 14.4 Cg_exo -69.67 -15.68 37.54 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.264 2.643 . . . . 0.0 112.897 -175.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.3 t -81.37 -41.32 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.321 0.581 . . . . 0.0 110.145 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 m -89.19 -13.66 37.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.691 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? 59.52 41.61 18.83 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.906 -175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.1 m -134.15 132.51 39.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.331 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.544 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 48.4 t -114.77 136.66 50.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.038 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -125.31 117.54 24.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.813 0.34 . . . . 0.0 110.631 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -111.3 113.68 26.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.607 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.459 ' HB3' ' ND2' ' A' ' 92' ' ' ASN . 13.2 pt20 -112.11 141.97 45.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.627 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.621 HH21 ' HG3' ' A' ' 91' ' ' MET . 39.6 mtm180 -98.2 135.37 39.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.436 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.5 t -76.47 -34.93 25.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.359 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.47 138.51 43.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.181 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 22.5 p -116.1 -156.95 0.63 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.761 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.79 -107.98 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.75 -27.09 44.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.367 2.045 . . . . 0.0 110.77 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.604 ' O ' ' HB ' ' A' ' 85' ' ' THR . 74.5 m-85 -94.87 135.54 36.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.202 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -81.06 -36.95 29.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.449 0.642 . . . . 0.0 109.856 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.603 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 49.6 t80 -129.95 135.78 48.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.848 -176.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.621 ' HG3' HH21 ' A' ' 82' ' ' ARG . 83.2 mmm -141.99 99.84 3.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.677 0.275 . . . . 0.0 111.465 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 81' ' ' GLN . 12.3 t-20 -131.42 107.46 8.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 20.0 mt -92.42 117.4 35.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.811 0.339 . . . . 0.0 110.419 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.578 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 39.4 t -105.69 117.18 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.972 -176.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.544 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 49.3 m0 -102.0 101.09 11.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.7 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.46 ' HB3' ' HB3' ' A' ' 107' ' ' ARG . 28.5 tt0 -99.96 125.42 45.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -102.41 114.53 28.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.304 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.69 132.61 51.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.644 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.1 138.42 40.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.135 0.493 . . . . 0.0 110.87 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.466 ' OG1' HG23 ' A' ' 105' ' ' VAL . 18.4 m -140.28 161.89 36.59 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.472 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.25 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.22 5.15 31.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 156.13 -169.1 33.65 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 119.023 -1.56 . . . . 0.0 113.352 -176.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.49 ' OG1' ' HG2' ' A' ' 15' ' ' MET . 5.3 m -98.91 123.54 43.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.471 -0.365 . . . . 0.0 111.185 -176.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.466 HG23 ' OG1' ' A' ' 100' ' ' THR . 69.6 t -86.27 112.59 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 170.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 44.8 ttp -94.08 115.77 28.11 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.573 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 19.9 ttm-85 -88.63 98.15 11.51 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.89 85.62 6.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.123 0.487 . . . . 0.0 109.838 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.578 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 56.8 m -89.14 98.93 12.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.448 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -89.06 95.58 10.37 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.77 100.24 13.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.603 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -123.17 167.64 13.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.252 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.603 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -144.95 128.6 17.15 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.493 176.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.426 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 77.1 mtp -105.81 168.74 8.91 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.362 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.503 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 10.2 mtpp -169.79 -44.43 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 123.776 0.673 . . . . 0.0 111.149 -176.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.503 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 51.6 Cg_exo -43.28 161.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.365 1.415 0 C-N-CA 122.075 1.85 . . . . 0.0 112.565 170.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.04 31.85 0.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.628 0.728 . . . . 0.0 111.03 -168.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -63.71 139.79 97.69 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.374 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 13.8 Cg_exo -70.44 -2.2 10.27 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.128 2.552 . . . . 0.0 112.81 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.6 m -110.09 124.4 66.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.2 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.83 175.65 10.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.874 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -55.37 -45.31 76.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.599 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.92 98.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.675 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -64.35 -42.54 96.18 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.979 0.419 . . . . 0.0 110.048 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.426 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 90.9 mmm -69.47 -37.84 77.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 91.7 m -57.69 -44.88 86.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.994 0.426 . . . . 0.0 109.999 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.81 -46.28 91.16 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.638 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -57.43 -49.8 75.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.712 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.45 ' CG2' HG21 ' A' ' 5' ' ' THR . 98.8 mt -63.91 -37.0 78.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.122 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -52.06 -47.71 64.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.539 0.209 . . . . 0.0 110.846 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -67.65 -53.75 25.33 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.192 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.03 -48.97 78.47 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.271 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' A' ' 137' ' ' MET . 28.3 t -60.61 -52.5 64.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.775 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -56.09 -35.19 66.73 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 38.8 m -69.34 -54.38 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.989 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -69.7 -33.52 72.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.68 -176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.495 ' HB3' HG21 ' A' ' 9' ' ' ILE . 29.7 mmt -64.82 -38.62 91.61 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.67 81.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.97 0.414 . . . . 0.0 110.572 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.7 tt -67.94 -49.33 62.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.028 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.511 ' O ' HG12 ' A' ' 144' ' ' ILE . 65.9 mt -63.69 -48.94 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.682 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -41.72 72.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.996 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.593 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 14.1 t70 -60.54 -48.4 81.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.067 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -68.08 -36.11 79.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.162 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 140' ' ' ILE . 36.0 mm -59.47 -47.39 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.144 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.44 -31.27 71.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.015 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 50.0 mt-30 -63.2 -52.47 62.17 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.088 0.471 . . . . 0.0 110.301 174.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.83 91.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.143 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.47 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -73.41 -15.05 61.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.67 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -85.59 -30.97 22.86 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.526 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -80.42 -57.74 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.754 -0.223 . . . . 0.0 110.512 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 62.52 99.14 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.265 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -73.9 -32.65 63.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.335 0.588 . . . . 0.0 109.557 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.9 p -74.83 144.99 43.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.666 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -94.21 173.84 7.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.709 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 16.4 m -73.41 -53.57 10.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.286 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 65.6 t -109.68 114.97 48.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.944 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 52.1 tp -86.04 96.0 9.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.337 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -104.37 -168.15 1.45 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.479 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.68 153.79 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.329 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.45 -11.88 59.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.358 0.599 . . . . 0.0 110.045 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 163' ' ' HIS . 22.8 mt-10 -137.22 133.33 35.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.42 -0.809 . . . . 0.0 108.89 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -80.94 85.64 6.2 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.849 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . 0.422 ' CD2' ' HB2' ' A' ' 161' ' ' GLU . 33.1 m-70 -71.88 131.24 42.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.329 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -78.64 -29.24 45.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.146 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -108.34 90.89 3.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.09 0.471 . . . . 0.0 109.799 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -80.32 114.29 19.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.067 -179.233 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 121.042 0.448 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.16 154.89 45.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.993 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.92 90.77 1.19 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.969 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -93.03 89.52 6.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.114 0.483 . . . . 0.0 109.977 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.549 ' HG1' ' HE2' ' A' ' 112' ' ' PHE . 13.3 m -101.16 113.51 26.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.824 -175.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -99.18 95.98 7.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.494 0.664 . . . . 0.0 110.555 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.829 HD21 HG22 ' A' ' 129' ' ' ILE . 91.9 m-20 -91.62 94.87 9.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.552 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.641 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 24.4 mt-10 -101.53 110.7 22.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.515 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.524 HG21 ' HB3' ' A' ' 137' ' ' MET . 14.5 tt -118.6 131.7 70.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.112 0.482 . . . . 0.0 110.294 175.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.8 m -84.22 113.22 20.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.773 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 144' ' ' ILE . 30.8 mm -86.56 138.93 18.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.242 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.46 37.97 0.53 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.108 0.48 . . . . 0.0 111.053 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.53 146.57 32.99 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.024 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' O ' HG23 ' A' ' 18' ' ' VAL . 46.5 Cg_endo -69.29 161.8 44.4 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.679 2.253 . . . . 0.0 112.234 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.475 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 83.6 mtp -60.22 -20.94 61.01 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.709 ' HB3' HG21 ' A' ' 153' ' ' THR . 27.4 mt-10 -52.79 -62.74 1.45 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.451 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.94 -32.74 61.84 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.184 -0.207 . . . . 0.0 110.89 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.475 ' HB ' ' HA ' ' A' ' 15' ' ' MET . 72.9 t -56.5 -54.81 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.027 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -65.11 -42.32 94.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -32.83 63.88 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.262 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.3 mmm -92.36 -41.52 10.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.5 p -74.93 -24.4 58.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.74 0.305 . . . . 0.0 111.734 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.501 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 65.0 t30 -72.01 -24.92 61.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.289 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.7 94.84 8.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.1 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 40' ' ' VAL . 36.0 pt -70.35 -19.73 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.39 -171.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.65 -8.39 57.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -103.0 -2.85 26.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.531 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 45.6 m0 -57.96 -51.8 79.15 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.531 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 45.3 Cg_exo -57.61 -27.54 77.49 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 122.324 2.016 . . . . 0.0 113.061 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.5 -39.04 57.4 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.896 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mp -86.33 -48.3 8.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.714 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CD2' HD11 ' A' ' 140' ' ' ILE . 0.3 OUTLIER -97.19 103.37 15.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.207 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 m -88.47 82.78 6.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.218 0.532 . . . . 0.0 111.198 -174.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -159.86 -46.51 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.334 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.449 ' HD1' ' SD ' ' A' ' 54' ' ' MET . 29.6 m-85 -79.46 130.97 35.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.309 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.47 86.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.838 0.352 . . . . 0.0 110.998 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.4 t -165.96 153.42 10.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.295 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.512 HG21 ' HB2' ' A' ' 28' ' ' TRP . 98.9 t -110.85 103.22 15.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -94.25 131.7 39.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.285 -173.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.585 HG22 HD11 ' A' ' 25' ' ' ILE . 38.3 t -78.83 105.24 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.895 177.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.3 tp -82.0 -27.27 33.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.389 0.614 . . . . 0.0 109.563 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.37 -176.56 35.31 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.116 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' A' ' 48' ' ' VAL . 64.6 mtp180 -132.84 124.93 28.88 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.833 0.316 . . . . 0.0 110.522 177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -81.88 68.92 8.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 57.68 -85.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.62 -1.173 . . . . 0.0 112.286 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.08 -12.93 42.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.971 0.415 . . . . 0.0 110.565 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -107.0 165.84 11.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.168 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.579 HG13 ' HB3' ' A' ' 69' ' ' ARG . 7.3 p -126.09 123.54 64.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 110.035 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.1 m -101.68 116.13 32.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.237 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 67' ' ' SER . 36.1 p90 -119.65 146.28 45.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.134 0.492 . . . . 0.0 110.819 -175.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -110.56 117.09 32.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.715 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.5 mt -83.46 113.68 20.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.6 p -95.09 121.55 36.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.865 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.493 ' HB2' ' HB2' ' A' ' 63' ' ' TRP . 86.9 mmm -106.42 168.57 9.07 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 7.4 p80 -63.5 134.6 95.92 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.025 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.541 ' HG3' HG22 ' A' ' 62' ' ' VAL . 22.7 Cg_exo -65.23 153.0 80.34 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.847 2.364 . . . . 0.0 112.35 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.19 164.29 13.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.614 174.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.37 61.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 110.869 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.03 -29.98 66.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.548 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.4 -3.39 20.19 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.633 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -73.96 116.42 14.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.829 0.347 . . . . 0.0 110.435 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.541 HG22 ' HG3' ' A' ' 56' ' ' PRO . 43.6 t -80.67 118.61 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.491 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.493 ' HB2' ' HB2' ' A' ' 54' ' ' MET . 19.7 m0 -79.87 117.26 20.57 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -150.34 136.31 18.5 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.48 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.499 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 7.4 p90 -137.53 137.17 38.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.039 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.0 t -83.11 140.46 16.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.423 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 16.5 m -140.36 155.53 46.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.471 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.84 121.1 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.681 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.579 ' HB3' HG13 ' A' ' 48' ' ' VAL . 46.3 ttt-85 -105.28 116.93 32.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.38 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.31 114.1 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.186 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.69 109.3 20.95 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.506 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 17.8 t70 -97.21 111.65 58.66 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.977 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 5.0 Cg_exo -78.38 -11.45 15.9 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.259 2.639 . . . . 0.0 113.028 -175.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -82.83 -51.28 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.282 0.563 . . . . 0.0 110.077 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m -83.83 -19.39 35.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.749 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 61.13 50.81 4.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.151 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.3 m -134.63 132.6 39.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.806 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.53 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 60.4 t -114.28 124.97 71.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.634 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -108.91 115.12 29.47 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.196 177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.01 96.06 6.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.368 0.604 . . . . 0.0 109.879 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -97.7 134.03 41.43 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.381 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.611 HH12 ' HA ' ' A' ' 85' ' ' THR . 41.0 mtm105 -95.11 118.01 31.17 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.332 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.4 t -71.7 -40.85 70.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.211 0.529 . . . . 0.0 109.717 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.499 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 43.4 mt-10 -102.02 149.14 24.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.042 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.611 ' HA ' HH12 ' A' ' 82' ' ' ARG . 7.0 t -151.43 176.21 11.51 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.029 -176.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . -126.08 -97.24 1.05 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.772 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.44 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 4.7 Cg_exo -75.28 2.29 6.93 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.887 2.391 . . . . 0.0 112.434 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -109.06 137.02 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -82.55 -30.44 29.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.278 0.561 . . . . 0.0 110.064 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -150.98 153.05 34.45 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.0 ttm -166.91 110.02 0.71 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.179 0.514 . . . . 0.0 111.821 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -119.39 116.97 27.27 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.526 HG23 ' HG2' ' A' ' 110' ' ' GLN . 40.7 mt -95.28 103.07 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.871 0.367 . . . . 0.0 110.55 -175.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.4 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 48.8 t -90.39 109.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.048 -178.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 30.4 m0 -86.1 94.26 9.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.392 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -96.12 125.31 40.56 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -106.12 114.79 29.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.878 0.371 . . . . 0.0 110.693 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.43 101.94 11.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.296 0.57 . . . . 0.0 110.091 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.433 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 41.7 tt0 -61.91 129.51 41.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.715 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -128.46 169.44 14.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.59 -42.63 98.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.659 0.266 . . . . 0.0 111.68 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.89 -39.19 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.525 -175.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 11' ' ' ILE . . . -166.68 -169.21 29.99 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.449 -0.882 . . . . 0.0 112.268 -178.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m -99.9 125.41 45.88 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.542 0.211 . . . . 0.0 111.048 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.579 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 74.9 t -78.57 100.46 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 170.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 46.0 ttp -83.88 105.31 14.67 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.641 ' HG3' ' HG2' ' A' ' 8' ' ' GLU . 23.2 ttt180 -105.68 103.3 12.78 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.027 -172.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -86.28 92.25 8.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.845 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.4 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 16.6 m -90.71 96.4 10.62 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.496 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.526 ' HG2' HG23 ' A' ' 93' ' ' ILE . 82.7 mt-30 -89.26 114.08 25.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.985 0.421 . . . . 0.0 110.879 -177.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -91.8 92.66 8.48 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.549 ' HE2' ' HG1' ' A' ' 5' ' ' THR . 48.7 p90 -127.38 159.2 35.18 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.533 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.37 127.68 24.48 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.808 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.816 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 81.1 mtp -116.94 -156.55 0.63 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 114' ' ' MET . 34.1 mtmm 101.54 -14.79 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 58.3 Cg_endo -72.13 87.29 0.89 Allowed 'Trans proline' 0 C--N 1.369 1.619 0 CA-C-N 122.725 2.009 . . . . 0.0 112.569 177.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 38.6 t70 60.25 66.25 0.98 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.59 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -141.97 131.07 12.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.04 -23.74 46.01 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.861 2.374 . . . . 0.0 112.147 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.4 m -99.11 136.72 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.361 0.6 . . . . 0.0 110.612 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.673 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 23.2 t70 -93.88 168.49 10.94 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.463 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.32 -37.67 62.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.0 86.24 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.535 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.673 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 99.1 m95 -62.86 -43.52 98.57 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.988 0.423 . . . . 0.0 110.529 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.816 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 98.2 mmm -70.92 -31.69 68.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.463 -177.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 86.4 m -58.5 -51.14 71.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 110.297 176.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.39 -42.59 83.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.892 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.01 -53.64 56.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.62 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.829 HG22 HD21 ' A' ' 7' ' ' ASN . 72.0 mt -61.69 -39.05 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.736 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.534 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 3.6 t-20 -57.26 -51.05 70.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 134' ' ' ARG . 46.7 mtm105 -74.82 -38.75 61.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.73 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.13 -36.03 82.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.745 0.307 . . . . 0.0 110.444 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.6 t -66.86 -39.06 87.45 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 131' ' ' ARG . 38.2 ttt180 -54.37 -44.48 72.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.218 174.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 25.3 m -67.63 -52.5 37.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.357 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -65.16 -45.06 86.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.856 0.36 . . . . 0.0 111.878 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.524 ' HB3' HG21 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -73.39 -19.53 60.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.111 -176.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.56 -46.91 77.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 168.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.96 -45.41 82.86 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.159 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' A' ' 32' ' ' PHE . 81.0 mt -66.01 -43.55 92.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.247 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -56.96 -49.34 76.01 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.137 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 4.1 m-20 -56.32 -46.89 79.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.021 0.439 . . . . 0.0 110.454 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -71.06 -29.45 65.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.968 -176.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 11' ' ' ILE . 21.0 mm -66.47 -44.24 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.049 0.452 . . . . 0.0 109.888 172.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.66 -38.13 86.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.337 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 98.4 mt-30 -63.13 -35.83 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.487 175.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.6 62.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.658 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.27 68.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.074 0.464 . . . . 0.0 110.838 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -71.75 -29.39 67.52 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 175.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -77.08 -48.67 17.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.964 0.411 . . . . 0.0 110.111 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -132.93 125.18 29.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.681 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -104.89 -178.1 3.56 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.709 HG21 ' HB3' ' A' ' 16' ' ' GLU . 18.8 p -95.34 145.26 25.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.081 0.467 . . . . 0.0 111.009 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -80.8 164.44 22.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.947 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.7 p -80.78 -29.15 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.048 0.451 . . . . 0.0 109.984 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 39.1 t -87.53 109.87 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.552 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 90.6 mt -91.6 -13.65 31.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -90.53 171.23 9.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.6 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -87.95 95.3 10.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.095 0.474 . . . . 0.0 110.099 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 62.6 tp -118.22 104.55 10.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.417 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.22 147.21 28.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.257 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -92.16 90.19 7.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 168.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . 0.428 ' O ' ' HD2' ' A' ' 166' ' ' HIS . 31.2 m170 -72.6 168.46 18.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.034 -174.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -76.37 -21.17 56.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.861 -174.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -80.77 67.93 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.533 0.682 . . . . 0.0 110.732 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.428 ' HD2' ' O ' ' A' ' 163' ' ' HIS . 92.2 m-70 -145.63 -96.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 171.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 . . . . . 0 C--O 1.245 0.817 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 175.161 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.61 111.74 18.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.806 0.336 . . . . 0.0 110.467 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.08 110.43 3.25 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.866 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -91.32 78.26 5.77 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 HG23 ' A' ' 126' ' ' THR . 21.8 m -83.7 96.29 8.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.986 0.422 . . . . 0.0 110.932 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 38.1 t70 -105.84 94.97 5.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.275 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.664 ' OD1' ' HA ' ' A' ' 130' ' ' ASN . 0.8 OUTLIER -104.33 142.47 34.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.658 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.548 ' HB2' ' HG3' ' A' ' 107' ' ' ARG . 39.0 tt0 -130.98 148.46 52.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 -172.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 137' ' ' MET . 13.5 tt -156.07 139.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.987 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.1 m -98.94 111.19 23.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.903 0.383 . . . . 0.0 110.919 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.6 mt -90.47 127.77 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.285 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.92 78.24 9.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.162 0.506 . . . . 0.0 110.758 -178.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -164.64 152.02 10.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.705 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' O ' HG23 ' A' ' 18' ' ' VAL . 32.1 Cg_exo -58.63 133.01 51.52 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.66 2.24 . . . . 0.0 111.886 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.416 ' HG2' ' OG1' ' A' ' 104' ' ' THR . 68.1 mtp -54.5 -30.93 54.97 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.612 -175.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.44 -62.8 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.606 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 7.2 mp -61.18 -32.33 72.08 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.485 HG22 HG21 ' A' ' 144' ' ' ILE . 84.1 t -59.88 -55.25 25.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.705 0.288 . . . . 0.0 110.619 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -63.78 -39.16 93.58 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 121.294 0.569 . . . . 0.0 109.618 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.606 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 18.8 m -56.41 -46.49 80.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.906 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 82.1 mtp -76.44 -32.81 58.67 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.8 p -85.54 -11.55 53.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.654 0.264 . . . . 0.0 111.544 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.581 ' HA ' HH22 ' A' ' 69' ' ' ARG . 48.1 t-20 -62.18 -61.99 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -71.95 124.95 26.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.849 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.635 HD11 HG22 ' A' ' 40' ' ' VAL . 27.7 pt -76.65 -19.59 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.074 -176.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -75.61 -5.91 47.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.56 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -95.92 -14.17 23.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.402 . . . . 0.0 110.194 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.556 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 46.6 m0 -58.79 -46.1 99.58 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.653 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 19.6 Cg_endo -61.15 -13.33 27.44 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 122.189 1.926 . . . . 0.0 112.811 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.62 -21.77 61.28 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.532 176.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.033 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 7.9 mp -102.05 -42.79 5.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.4 106.63 18.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.082 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -62.58 -27.31 69.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.927 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -77.43 -11.95 59.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.776 -175.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -92.25 99.94 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.71 -30.19 59.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.624 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 66.1 m -152.57 142.82 22.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.785 177.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.412 HG21 ' HD3' ' A' ' 29' ' ' PRO . 61.8 t -127.46 101.57 7.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 172.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -93.81 134.31 36.29 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 0.0 111.203 -173.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.635 HG22 HD11 ' A' ' 25' ' ' ILE . 6.4 t -89.67 112.76 24.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.077 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 51' ' ' ARG . 9.0 mp -85.78 -23.02 27.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.973 0.415 . . . . 0.0 110.407 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.47 158.88 10.56 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.079 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG2' HG23 ' A' ' 48' ' ' VAL . 57.8 mtp180 -138.54 110.59 7.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.977 0.418 . . . . 0.0 110.749 177.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.655 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 8.6 m-20 -93.94 65.76 3.54 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 63.46 -85.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.93 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.54 -17.91 29.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.335 0.588 . . . . 0.0 110.21 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.655 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 60.9 mttm -89.83 133.14 34.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.553 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 ' HB3' ' A' ' 69' ' ' ARG . 4.8 p -130.84 118.61 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.382 0.61 . . . . 0.0 110.382 173.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -98.71 115.86 29.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.565 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -127.06 158.3 37.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.019 0.437 . . . . 0.0 110.972 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HB2' HD11 ' A' ' 41' ' ' LEU . 43.8 ttp180 -125.72 120.05 29.62 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.714 ' O ' ' HA ' ' A' ' 64' ' ' SER . 82.2 mt -89.5 114.27 25.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.847 -177.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.518 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 97.3 m -100.22 110.98 23.24 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.667 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.6 mtt -92.45 -163.5 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.22 0.533 . . . . 0.0 111.336 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 21.7 p-80 -60.46 148.03 81.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.458 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 55' ' ' HIS . 8.1 Cg_exo -73.61 127.78 12.02 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.647 2.231 . . . . 0.0 110.695 169.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -72.3 165.55 24.24 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.44 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.94 -30.97 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.571 0.348 . . . . 0.0 111.76 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -79.73 -4.76 53.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 110.968 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.01 17.89 52.29 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.489 -175.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -89.84 111.01 21.91 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.77 120.52 37.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -81.19 88.71 6.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.36 0.6 . . . . 0.0 110.081 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.714 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 9.4 t -125.65 124.85 42.06 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.71 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 84' ' ' GLU . 12.9 p90 -134.53 147.95 50.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.025 0.44 . . . . 0.0 111.384 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.1 t -88.66 137.51 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.925 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.5 m -146.03 150.65 36.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.037 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -107.77 135.71 48.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.981 0.419 . . . . 0.0 110.55 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.581 HH22 ' HA ' ' A' ' 23' ' ' ASN . 33.6 ttt180 -124.83 130.18 51.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.916 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.4 t -111.31 121.31 63.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.246 174.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -96.63 106.11 18.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.808 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.548 ' HB3' ' O ' ' A' ' 77' ' ' THR . 0.6 OUTLIER -99.04 109.75 55.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.03 0.443 . . . . 0.0 110.982 177.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -87.12 -3.34 7.93 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.836 2.358 . . . . 0.0 112.561 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.1 t -84.35 -51.51 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.005 0.431 . . . . 0.0 110.399 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -100.05 3.88 44.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.251 0.548 . . . . 0.0 109.856 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.487 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 82.0 mtt180 60.79 36.27 19.25 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.478 175.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.548 ' O ' ' HB3' ' A' ' 72' ' ' ASP . 86.8 m -122.05 124.11 43.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.012 -175.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.59 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 44.6 t -98.75 129.83 48.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.523 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 27.5 mmt180 -105.56 98.88 8.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.31 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.7 101.45 9.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.868 0.366 . . . . 0.0 110.089 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' HB3' HD22 ' A' ' 92' ' ' ASN . 13.1 pt20 -112.51 140.52 47.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.307 0.575 . . . . 0.0 111.029 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -84.72 112.84 20.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.29 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.3 t -72.83 -36.2 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.534 ' HB3' ' HB2' ' A' ' 65' ' ' TRP . 7.2 tp10 -99.73 101.79 13.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.385 175.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 p -101.03 -80.35 0.49 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -176.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.49 -102.73 2.04 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.274 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -65.62 -14.26 43.87 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.05 2.5 . . . . 0.0 112.145 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -111.83 165.12 12.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.636 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.845 ' HB2' ' HB2' ' A' ' 115' ' ' LYS . 10.4 tt0 -99.77 -56.09 2.48 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.93 0.395 . . . . 0.0 110.1 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -137.35 127.02 25.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.031 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 84.0 mtp -131.25 114.73 15.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.551 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.408 HD22 ' HB3' ' A' ' 81' ' ' GLN . 21.2 t-20 -117.3 109.94 17.46 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.583 HG23 ' HG2' ' A' ' 110' ' ' GLN . 48.8 mt -92.23 111.82 24.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.972 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.584 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 41.4 t -98.25 111.35 27.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.768 -178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.59 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 11.7 m0 -92.54 96.04 9.98 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 174.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -96.83 113.13 24.66 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.836 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -90.4 117.56 29.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.93 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.536 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.59 118.69 37.33 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 121.327 0.584 . . . . 0.0 111.092 -175.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.487 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 45.3 tt0 -63.76 113.36 3.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.962 176.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.9 m -130.78 157.93 41.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.21 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.29 -17.51 62.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.871 -176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -92.98 -22.98 18.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.915 0.388 . . . . 0.0 111.198 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.61 -169.27 32.86 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.047 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.416 ' OG1' ' HG2' ' A' ' 15' ' ' MET . 41.7 m -80.52 108.33 14.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.87 0.366 . . . . 0.0 110.566 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 40.3 t -81.35 115.58 24.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.054 0.454 . . . . 0.0 110.182 177.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 46.6 ttp -103.57 112.24 25.07 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.548 ' HG3' ' HB2' ' A' ' 8' ' ' GLU . 23.8 ttm105 -112.23 114.05 26.62 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.117 -176.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -92.49 91.99 7.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.256 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.584 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 5.4 m -83.96 92.5 7.84 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.623 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.583 ' HG2' HG23 ' A' ' 93' ' ' ILE . 67.1 mt-30 -89.14 90.95 8.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -92.73 101.6 14.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.161 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -121.99 148.91 44.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.395 0.616 . . . . 0.0 111.803 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -120.13 133.68 55.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.208 173.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 47.6 mtp -95.07 -175.54 3.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.087 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.845 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 86.3 tttt -158.55 -55.13 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -173.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 12.1 Cg_exo -71.94 -149.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.365 2.044 . . . . 0.0 112.854 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -58.03 -38.18 75.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.806 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 50.41 77.28 0.47 Allowed Pre-proline 0 CA--C 1.534 0.349 0 O-C-N 123.817 0.698 . . . . 0.0 112.135 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.04 -32.08 54.15 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.434 2.089 . . . . 0.0 111.154 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.3 m -98.51 133.35 41.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.396 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.44 170.37 12.76 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.71 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -56.37 -41.18 75.78 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.26 98.62 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.404 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 50.2 t90 -69.99 -40.32 75.4 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 120.233 -0.587 . . . . 0.0 109.737 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.42 ' O ' HG13 ' A' ' 129' ' ' ILE . 82.4 mmm -61.94 -54.8 36.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.566 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.559 HG23 HG23 ' A' ' 5' ' ' THR . 47.7 m -56.05 -41.84 75.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.942 0.401 . . . . 0.0 111.323 -178.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.2 -39.23 68.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.449 . . . . 0.0 111.02 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -62.76 -48.06 80.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.112 0.482 . . . . 0.0 110.334 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.427 HD13 ' OE1' ' A' ' 110' ' ' GLN . 91.4 mt -62.44 -30.5 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.372 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.664 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 3.6 t-20 -58.66 -50.58 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.58 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -63.04 -40.62 98.27 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.955 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -61.88 -46.98 87.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.464 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.7 m -62.12 -42.35 99.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.677 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.0 ttp85 -53.36 -54.05 42.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.038 0.446 . . . . 0.0 110.158 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 29.1 m -66.69 -53.57 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.878 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -71.09 -44.3 65.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.52 ' HB3' HG21 ' A' ' 9' ' ' ILE . 19.8 mmt -74.14 -25.72 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.947 -174.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.95 85.54 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 171.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.26 -45.0 96.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.183 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.509 HG23 HD23 ' A' ' 31' ' ' LEU . 72.0 mt -62.35 -44.21 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.229 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.405 ' HE ' HD11 ' A' ' 9' ' ' ILE . 33.6 ttp85 -57.39 -51.89 67.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.521 0.201 . . . . 0.0 110.773 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -38.48 88.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 1.033 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 2.2 tpm_? -60.23 -50.48 73.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.979 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.485 HG21 HG22 ' A' ' 18' ' ' VAL . 66.0 mt -68.75 -45.49 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.73 -43.46 94.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.967 0.413 . . . . 0.0 110.231 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -59.23 -54.76 43.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.877 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.92 81.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.484 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 152' ' ' ARG . . . -71.3 -37.5 71.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.308 177.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -70.35 -45.11 56.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.755 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.22 -37.72 88.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.681 0.277 . . . . 0.0 111.384 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -93.05 -1.61 56.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -175.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' A' ' 148' ' ' ALA . 21.6 ttp-105 -70.62 -31.97 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.455 0.645 . . . . 0.0 109.486 177.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 28.3 m -144.3 83.77 1.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.696 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -132.5 132.17 42.38 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.049 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 28.4 m 74.0 124.43 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 O-C-N 124.385 1.053 . . . . 0.0 111.173 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 52.3 t -56.48 -44.18 79.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.241 0.543 . . . . 0.0 109.936 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 94.1 mt -103.94 96.63 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 172.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -91.36 157.7 16.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.536 -174.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -71.19 -14.1 62.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.54 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.44 -25.58 68.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.167 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -91.1 111.86 23.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.541 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -80.37 93.47 5.97 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -76.09 175.0 9.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.576 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -94.81 0.2 54.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.92 0.391 . . . . 0.0 111.131 -177.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.78 148.49 33.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.091 177.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -85.39 -43.88 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.04 0.448 . . . . 0.0 109.967 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 . . . . . 0 C--O 1.245 0.836 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 174.606 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 ttm . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.831 0.348 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -166.46 137.96 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.632 ' HA3' ' CE1' ' A' ' 112' ' ' PHE . . . -124.33 112.84 1.88 Allowed Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.064 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -109.12 101.02 10.11 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.767 0.318 . . . . 0.0 110.175 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 m -112.16 109.41 19.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -95.61 103.12 14.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.515 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 40.2 m-80 -95.03 96.55 9.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.928 0.394 . . . . 0.0 110.251 177.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -97.51 137.11 36.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.303 -174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 tt -142.53 137.7 28.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.978 0.418 . . . . 0.0 110.758 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 m -96.55 112.05 23.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG23 ' HG3' ' A' ' 141' ' ' ARG . 57.7 mt -102.12 132.65 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.12 36.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.026 0.441 . . . . 0.0 111.545 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.09 147.39 44.54 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.391 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.28 137.26 80.86 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.817 2.344 . . . . 0.0 112.059 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.3 mtp -50.98 -38.04 48.53 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.86 -60.72 3.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -173.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.609 HD23 ' HB2' ' A' ' 148' ' ' ALA . 24.8 tp -63.63 -33.66 76.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.833 0.288 . . . . 0.0 111.468 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.6 t -60.23 -54.22 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.897 0.379 . . . . 0.0 110.396 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -57.73 -44.01 85.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.506 0.67 . . . . 0.0 109.451 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.599 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 17.0 m -57.77 -45.77 85.49 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.431 -1.258 . . . . 0.0 112.392 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 91.8 mtp -78.68 -40.74 33.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.69 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 24.7 p -72.21 -25.18 61.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -88.24 -10.88 48.3 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.55 0.204 . . . . 0.0 111.55 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -81.5 77.51 8.36 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.523 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 26.5 pt -67.48 -15.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.812 -1.085 . . . . 0.0 112.204 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.46 -13.62 61.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.328 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -117.78 21.74 12.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.0 111.146 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' HA ' ' A' ' 25' ' ' ILE . 9.7 m0 -54.46 -42.87 96.72 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 175.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -59.22 -8.12 6.05 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.424 2.082 . . . . 0.0 113.446 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.67 -10.52 67.24 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.861 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -120.24 -46.66 2.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -93.59 150.89 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.041 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.7 m -100.73 -28.9 12.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.598 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -75.72 -41.84 52.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.204 -174.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -78.81 95.65 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.383 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.52 -37.89 24.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.392 -177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.577 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 56.4 m -129.56 110.05 11.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.239 0.542 . . . . 0.0 111.426 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 28' ' ' TRP . 60.5 t -105.2 98.89 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.91 105.09 15.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -172.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.444 HG22 HD11 ' A' ' 25' ' ' ILE . 27.3 t -68.33 126.38 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.94 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.78 -37.62 11.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.954 0.407 . . . . 0.0 110.744 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.87 157.46 29.5 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.484 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -128.92 91.15 3.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.803 0.335 . . . . 0.0 110.736 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.484 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 8.1 m-20 -82.38 167.43 18.51 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -52.17 -39.92 60.74 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.481 0.488 . . . . 0.0 112.079 -173.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -132.94 15.71 4.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.053 0.454 . . . . 0.0 110.746 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 13.4 mptt -132.42 93.61 3.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.451 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.735 HG13 ' HB3' ' A' ' 69' ' ' ARG . 4.1 p -92.03 102.75 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.687 0.756 . . . . 0.0 109.505 172.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.7 m -81.75 118.32 22.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.41 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 69' ' ' ARG . 38.2 p90 -120.82 140.2 52.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.516 0.674 . . . . 0.0 110.96 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 51' ' ' ARG . 6.4 ttt180 -103.47 115.02 29.75 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.673 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 64' ' ' SER . 89.1 mt -87.95 113.17 23.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.19 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.577 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 18.2 m -108.86 120.59 42.95 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.74 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.7 mmt -95.03 161.46 14.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.705 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -61.17 134.67 93.17 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.224 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.477 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 78.1 Cg_exo -51.31 132.9 41.03 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.196 2.598 . . . . 0.0 112.602 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -81.92 -164.16 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.581 -176.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.44 -29.16 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.546 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.64 -19.46 61.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.275 0.56 . . . . 0.0 110.454 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.09 18.58 62.67 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.56 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 88.7 tttt -96.36 142.1 28.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.852 0.358 . . . . 0.0 110.245 -178.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.0 t -85.74 110.13 19.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.804 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -83.5 98.53 9.59 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.425 0.631 . . . . 0.0 110.771 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 15.4 m -118.98 124.32 46.73 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.613 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.538 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 13.2 p90 -128.6 142.95 50.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.037 0.446 . . . . 0.0 111.003 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.8 t -86.83 131.77 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.313 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -136.22 151.53 49.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.716 175.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -111.64 129.26 56.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.73 0.3 . . . . 0.0 110.639 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.735 ' HB3' HG13 ' A' ' 48' ' ' VAL . 34.9 ttt85 -103.12 102.16 12.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.084 0.469 . . . . 0.0 110.102 176.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.93 97.92 7.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.746 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.417 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -91.65 96.36 10.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.096 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -96.46 107.36 35.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.539 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 7.7 Cg_exo -73.01 -21.2 21.0 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.909 2.406 . . . . 0.0 111.948 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.9 -45.16 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.255 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.69 12.07 29.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.918 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 56.98 34.2 24.55 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.984 0.421 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -124.14 118.1 26.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.248 -174.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.584 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 49.6 t -107.08 107.37 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 0.0 109.93 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -93.63 107.87 19.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.284 -175.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -97.97 91.74 5.46 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -94.1 123.59 37.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.691 HH21 HG23 ' A' ' 85' ' ' THR . 21.6 mtm180 -93.06 108.49 20.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.14 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.06 -39.65 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.805 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 38.1 mt-10 -108.07 115.1 29.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.494 176.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.691 HG23 HH21 ' A' ' 82' ' ' ARG . 5.6 m -122.72 5.97 9.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.19 0.519 . . . . 0.0 111.049 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.412 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 70.97 -119.94 8.37 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.012 -0.613 . . . . 0.0 113.101 176.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.412 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 15.9 Cg_exo -68.51 -22.85 38.0 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.087 2.525 . . . . 0.0 112.001 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.644 ' HB2' HG22 ' A' ' 85' ' ' THR . 57.0 m-85 -86.04 128.27 34.83 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.785 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 22.4 tm0? -67.13 -43.16 83.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.679 -172.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 75.9 t80 -148.92 149.34 31.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.401 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 52.7 ttm -152.86 110.79 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.901 0.382 . . . . 0.0 110.377 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 39.0 t-20 -107.15 115.31 29.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.63 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.498 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 16.4 mt -97.93 92.35 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.041 0.448 . . . . 0.0 109.843 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 85.0 t -90.72 110.33 22.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.04 -177.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.69 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.3 m0 -87.96 96.24 10.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -97.25 121.07 38.72 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.088 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -101.08 118.93 37.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.496 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.31 113.65 27.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.176 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -72.59 124.86 26.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.11 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.3 m -124.6 157.26 35.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.35 -23.97 65.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 111.506 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -110.69 15.12 22.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.599 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.77 -169.37 28.6 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.01 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.4 m -110.77 119.92 40.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.601 0.238 . . . . 0.0 110.424 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 67.9 t -92.19 103.46 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 55.2 ttp -90.42 120.87 31.9 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -104.42 108.97 20.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.829 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.493 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -79.29 83.66 5.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.05 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.559 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 85.5 m -81.26 91.22 6.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.371 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -90.14 100.98 13.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.347 0.594 . . . . 0.0 109.462 176.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -101.76 92.74 4.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.093 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.632 ' CE1' ' HA3' ' A' ' 3' ' ' GLY . 35.8 p90 -111.57 178.39 4.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.724 -175.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -153.66 113.88 3.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.464 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.466 ' HE1' ' HB3' ' A' ' 118' ' ' ALA . 38.2 mtp -92.95 144.13 25.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.958 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.785 ' HD2' ' HG3' ' A' ' 89' ' ' GLN . 93.2 mttt -147.98 -50.91 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.082 -177.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.635 ' HD3' ' HB2' ' A' ' 115' ' ' LYS . 87.7 Cg_exo -50.84 168.72 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 121.779 1.653 . . . . 0.0 112.477 169.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -87.33 34.5 0.69 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.757 -170.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.466 ' HB3' ' HE1' ' A' ' 114' ' ' MET . . . -55.27 147.28 37.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.788 176.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.58 13.36 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.092 2.528 . . . . 0.0 113.883 -174.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.1 m -134.58 150.58 30.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 0.0 109.867 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.667 ' H ' ' HD1' ' A' ' 124' ' ' TRP . 24.4 m-20 -99.18 169.02 9.68 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.385 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.05 -33.23 67.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.12 83.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.355 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.667 ' HD1' ' H ' ' A' ' 121' ' ' ASP . 33.2 m95 -63.89 -35.41 80.57 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.749 0.309 . . . . 0.0 110.53 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 70.0 mtp -66.26 -49.03 68.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.804 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 50.4 m -53.56 -50.1 66.26 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.472 0.482 . . . . 0.0 112.075 -174.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -73.29 -36.55 66.31 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.689 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -66.72 -45.32 79.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.064 0.459 . . . . 0.0 110.007 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.09 -38.99 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.56 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 134' ' ' ARG . 50.9 t-20 -47.88 -58.1 4.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.103 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -66.53 -47.15 73.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.257 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -60.98 -52.09 66.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.435 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.566 ' O ' ' HG2' ' A' ' 137' ' ' MET . 57.9 m -69.72 -37.13 76.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.79 -174.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 130' ' ' ASN . 88.7 mtt-85 -60.4 -35.0 74.73 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.408 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 26.9 m -66.47 -42.4 87.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.229 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -70.76 -34.52 71.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 133' ' ' SER . 30.4 mmt -61.05 -43.05 99.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.21 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.97 93.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.451 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.64 -51.24 70.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.458 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.19 -42.56 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.839 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.549 ' HG3' HG23 ' A' ' 11' ' ' ILE . 75.7 ttt180 -61.66 -51.5 68.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.952 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -21.52 62.48 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -177.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -86.78 -52.6 5.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.167 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.9 mt -63.67 -45.74 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.589 0.233 . . . . 0.0 111.436 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.8 -33.08 75.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.03 0.443 . . . . 0.0 110.129 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -70.11 -45.7 66.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.114 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.85 83.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.609 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -72.28 -19.88 61.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.4 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . 0.425 ' HA2' HD11 ' A' ' 160' ' ' LEU . . . -87.1 -23.47 40.94 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.076 177.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -88.76 -43.66 11.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.468 0.175 . . . . 0.0 110.643 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -88.48 127.39 35.52 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . 0.669 ' HG2' HD23 ' A' ' 160' ' ' LEU . 21.8 mtt-85 -105.26 135.96 45.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.045 0.45 . . . . 0.0 111.142 -172.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 11.0 p -76.08 -21.63 56.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.632 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -140.86 114.76 9.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.894 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 18.2 m -77.69 -24.78 49.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.54 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.56 -36.92 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.218 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.77 87.25 6.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.961 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.61 31.21 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.402 -177.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -80.86 -18.62 46.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.256 0.55 . . . . 0.0 109.753 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.669 HD23 ' HG2' ' A' ' 152' ' ' ARG . 33.2 tp -71.92 -21.06 61.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.438 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -144.86 100.06 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.75 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -84.52 107.63 16.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.114 -175.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -78.47 117.52 19.75 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 174.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -76.35 70.34 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.421 -171.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -144.36 0.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.469 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -134.96 100.01 4.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.83 0.348 . . . . 0.0 111.633 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.258 173.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.834 0.35 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.52 105.03 9.43 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.6 116.26 4.62 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.383 -174.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -105.82 81.9 1.72 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -101.53 143.16 31.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -132.06 97.51 4.17 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.428 HD21 ' HG3' ' A' ' 134' ' ' ARG . 6.4 t-20 -103.22 106.9 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.546 -173.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -98.5 122.24 41.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.509 HG21 ' HB3' ' A' ' 137' ' ' MET . 7.1 tp -120.94 126.49 75.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.207 0.527 . . . . 0.0 110.22 176.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.544 HG23 HG22 ' A' ' 105' ' ' VAL . 17.7 m -89.47 116.78 27.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.82 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.489 HG23 ' HG3' ' A' ' 141' ' ' ARG . 50.2 mt -111.83 125.85 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . . . -74.67 -13.94 60.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.994 0.426 . . . . 0.0 111.284 -172.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -60.28 141.38 90.99 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.219 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.0 Cg_endo -59.13 142.74 99.64 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.918 2.412 . . . . 0.0 112.029 177.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 81.1 mtp -54.65 -29.79 53.45 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.895 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -50.61 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.715 0.634 . . . . 0.0 111.298 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.639 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 24.2 tp -66.04 -27.46 68.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.376 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.53 ' HA ' HD11 ' A' ' 144' ' ' ILE . 83.8 t -59.99 -60.99 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -58.19 -39.97 80.31 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 109.833 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.639 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 18.0 m -58.07 -42.81 86.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.324 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' HG13 ' A' ' 144' ' ' ILE . 92.8 mtp -91.14 -33.47 15.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.1 p -69.72 -31.21 69.09 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.471 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 38.8 m-80 -86.56 -15.87 38.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.561 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -79.89 94.38 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.552 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 19.2 pt -75.23 -16.22 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.464 -172.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -81.81 -1.52 47.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.145 0.497 . . . . 0.0 110.382 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -109.6 -3.19 17.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.753 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 20.4 m0 -54.83 -49.83 89.5 Favored Pre-proline 0 CA--C 1.532 0.268 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.78 -23.46 41.76 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.985 1.79 . . . . 0.0 113.153 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.88 -37.29 30.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.348 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -92.33 -46.75 7.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.872 0.368 . . . . 0.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -101.83 102.79 13.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.735 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.7 m -90.91 90.52 7.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.715 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -169.27 -49.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.367 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -72.57 149.69 43.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.077 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.33 -75.15 0.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.11 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.429 ' OG ' ' HB ' ' A' ' 53' ' ' THR . 4.6 p -114.89 122.32 45.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.315 0.579 . . . . 0.0 111.577 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG11 ' HB ' ' A' ' 25' ' ' ILE . 66.7 t -98.81 104.51 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.302 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -102.89 127.89 49.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.3 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.509 HG22 HD11 ' A' ' 25' ' ' ILE . 21.9 t -91.44 106.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -79.72 -23.1 42.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.262 0.553 . . . . 0.0 110.085 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.31 172.65 27.84 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -152.03 153.12 33.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.118 0.459 . . . . 0.0 110.594 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -123.72 74.46 1.27 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.594 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.4 t0 57.2 -80.66 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.495 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.74 -29.9 25.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 0.0 110.726 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HG2' HG22 ' A' ' 70' ' ' VAL . 94.0 mttt -88.34 141.04 28.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.988 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.4 p -130.3 116.02 34.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.402 0.62 . . . . 0.0 109.846 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -97.0 97.88 9.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.16 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 50.6 p90 -115.59 151.22 35.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.105 0.478 . . . . 0.0 110.756 -178.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.551 ' HD3' ' HB3' ' A' ' 64' ' ' SER . 32.0 ttm180 -106.87 120.09 41.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.6 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.5 mt -83.82 94.67 8.25 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.429 ' HB ' ' OG ' ' A' ' 37' ' ' SER . 26.5 m -87.33 102.44 14.52 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.552 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 167.99 18.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.328 -176.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -72.62 147.97 89.84 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -43.99 129.73 7.83 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.16 2.573 . . . . 0.0 113.082 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.13 163.02 28.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.162 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.1 -31.68 61.41 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 123.132 0.27 . . . . 0.0 111.309 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.78 -34.53 78.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.411 0.624 . . . . 0.0 110.701 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.23 -13.29 12.49 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.741 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -80.58 164.97 22.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.444 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.57 125.65 68.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.222 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -89.82 111.73 22.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.205 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.551 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 18.0 m -129.4 110.61 12.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.395 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.566 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 48.0 p90 -125.95 140.77 52.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 111.518 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.6 t -85.76 133.16 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.042 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 16.2 m -126.16 128.48 47.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.14 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.01 120.0 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.374 -0.376 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.471 ' NH1' ' HA ' ' A' ' 23' ' ' ASN . 50.0 ttp180 -119.8 133.9 55.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.712 -177.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.456 HG22 ' HG2' ' A' ' 47' ' ' LYS . 41.7 t -119.25 126.24 75.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 177.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.25 114.25 26.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.132 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -115.6 110.26 44.87 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.23 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.8 -10.86 20.05 Favored 'Trans proline' 0 CA--C 1.527 0.145 0 C-N-CA 122.84 2.36 . . . . 0.0 113.452 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.2 t -76.56 -55.19 11.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.069 0.462 . . . . 0.0 110.058 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.0 p -82.07 -8.97 59.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.009 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 58.94 38.48 24.34 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.385 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.1 m -126.7 128.24 46.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.487 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.53 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 57.9 t -115.77 112.34 39.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.305 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -96.59 123.74 40.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.421 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.47 100.87 8.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.858 0.361 . . . . 0.0 110.283 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -95.58 124.83 39.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.245 0.545 . . . . 0.0 110.212 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -100.55 111.48 23.73 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.5 t -72.64 -51.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.035 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 36.6 mt-10 -92.09 120.97 33.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.276 177.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 2.9 m -141.17 2.99 1.74 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.022 0.439 . . . . 0.0 111.285 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.68 -116.29 4.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.874 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.68 -10.72 29.71 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.97 2.446 . . . . 0.0 112.666 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.555 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 62.7 m-85 -89.95 140.69 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.842 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -73.13 -44.31 60.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.185 0.517 . . . . 0.0 109.828 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -161.75 149.17 14.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.925 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 51.3 ttm -144.71 112.81 6.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.964 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -105.92 117.59 34.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.004 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.9 108.46 25.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.555 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 41.9 t -100.9 119.2 48.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.784 0.326 . . . . 0.0 111.263 -177.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 34.9 m0 -97.67 98.26 9.72 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -98.02 119.52 36.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.94 0.4 . . . . 0.0 110.174 177.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -95.12 116.98 29.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.88 114.04 27.94 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.033 0.444 . . . . 0.0 111.163 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.4 111.25 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.252 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.0 m -130.9 154.8 47.72 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.61 -16.21 58.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 110.527 -177.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -86.67 -6.79 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.281 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' ' 12' ' ' ALA . . . 134.84 -169.44 23.23 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.103 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.7 m -84.98 107.58 17.18 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.942 0.401 . . . . 0.0 110.025 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.544 HG22 HG23 ' A' ' 10' ' ' THR . 69.3 t -88.71 103.05 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 35.6 ttp -94.33 122.04 36.47 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.188 0.518 . . . . 0.0 110.011 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -103.78 109.77 21.61 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.826 -175.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -88.38 90.41 8.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.979 0.419 . . . . 0.0 110.555 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.555 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 7.9 m -83.98 102.52 12.51 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.518 175.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -104.92 108.99 20.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.043 0.449 . . . . 0.0 110.254 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -110.2 108.09 18.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.459 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -135.33 162.74 31.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.897 0.38 . . . . 0.0 111.008 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -143.58 137.6 28.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.769 176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 21.4 ptm -147.77 157.51 43.57 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.313 0.383 . . . . 0.0 110.246 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.507 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 53.7 mtpt -149.62 -49.9 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.507 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 71.4 Cg_exo -51.73 107.71 0.2 Allowed 'Trans proline' 0 C--N 1.365 1.432 0 C-N-CA 122.381 2.054 . . . . 0.0 113.561 -176.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.472 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 65.9 m-20 57.67 30.94 19.65 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.733 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.93 107.42 22.59 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.379 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 41.9 Cg_endo -92.52 17.05 1.29 Allowed 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 123.123 2.549 . . . . 0.0 111.81 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.501 HG21 ' SD ' ' A' ' 125' ' ' MET . 28.3 m -96.54 130.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.113 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -93.59 66.28 3.81 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.6 t70 61.68 -79.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.1 175.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.94 -13.41 62.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.947 -172.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -61.38 -45.53 93.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.277 0.56 . . . . 0.0 109.584 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 120' ' ' VAL . 80.5 mtp -79.58 -35.71 39.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.366 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.5 m -57.14 -41.33 78.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.027 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.5 -43.43 63.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 109.884 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -59.3 -41.48 89.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.769 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 125' ' ' MET . 61.5 mt -60.74 -46.72 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.713 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -53.54 -45.53 69.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -66.72 -60.21 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.9 -48.64 80.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.935 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 137' ' ' MET . 60.6 m -66.31 -38.61 88.1 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.428 ' HG3' HD21 ' A' ' 7' ' ' ASN . 74.7 mtm180 -59.82 -42.2 92.99 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.373 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.7 m -68.15 -41.9 80.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.966 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.414 ' O ' HG13 ' A' ' 140' ' ' ILE . 7.5 tp-100 -68.14 -43.45 78.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.804 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 133' ' ' SER . 80.5 mmm -67.7 -33.82 75.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.339 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.99 93.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.31 -50.17 74.07 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.114 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.439 HD12 ' SD ' ' A' ' 137' ' ' MET . 68.3 mt -58.75 -47.44 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.44 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.489 ' HG3' HG23 ' A' ' 11' ' ' ILE . 49.1 ttt180 -57.05 -51.0 71.03 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.42 -29.66 64.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.986 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -82.26 -50.49 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.7 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.53 HD11 ' HA ' ' A' ' 18' ' ' VAL . 16.5 tt -71.69 -33.77 49.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 111.495 -175.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -73.03 -33.63 65.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 150' ' ' GLU . 39.1 tt0 -62.13 -48.72 78.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.191 171.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.63 73.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.244 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.16 94.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.704 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . 0.563 ' O ' ' HA ' ' A' ' 153' ' ' THR . . . -71.57 -20.78 78.67 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.167 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 146' ' ' GLN . 47.2 mt-10 -85.73 -32.52 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.038 0.447 . . . . 0.0 110.207 175.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 151' ' ' ARG . 0.5 OUTLIER -67.39 -55.66 12.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -118.41 89.97 3.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.242 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 149' ' ' GLY . 9.2 p -58.69 -40.42 83.56 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.23 0.538 . . . . 0.0 110.265 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -104.96 103.46 13.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 168.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 15.1 m -62.43 -21.03 65.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.138 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 19.0 t -102.53 145.53 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 174.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.88 -36.6 79.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.166 0.507 . . . . 0.0 109.895 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -135.69 -163.33 1.38 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.843 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -77.36 -22.15 52.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.144 0.497 . . . . 0.0 110.091 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 95.3 mt -136.89 159.08 42.93 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.501 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -80.59 -53.43 6.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.088 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -84.83 121.88 28.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.173 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -98.15 146.08 25.94 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -80.7 18.51 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.445 0.641 . . . . 0.0 110.897 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -98.47 -1.97 40.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 167.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -137.4 -165.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.425 -1.261 . . . . 0.0 108.197 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.337 175.484 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.812 0.339 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -147.88 105.64 3.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.922 0.391 . . . . 0.0 110.126 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.15 107.12 3.29 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.974 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -92.15 92.15 8.1 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -113.88 136.04 53.31 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -168.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.84 102.64 9.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.826 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.607 ' ND2' ' HB2' ' A' ' 133' ' ' SER . 14.1 t-20 -96.2 120.61 36.81 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 17.5 mt-10 -118.34 149.77 40.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.606 -168.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 138' ' ' ALA . 19.2 tt -154.14 135.45 5.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.788 169.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 27.2 m -86.2 122.15 29.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.585 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 mt -108.01 123.33 63.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.179 0.514 . . . . 0.0 110.596 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.14 64.68 8.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.38 0.609 . . . . 0.0 110.301 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.9 149.51 36.15 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.986 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.12 146.86 95.26 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.587 2.191 . . . . 0.0 111.814 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.7 mtp -62.12 -26.11 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.299 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' CD ' HH21 ' A' ' 151' ' ' ARG . 31.9 tt0 -55.49 -68.75 0.17 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.242 0.339 . . . . 0.0 110.471 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD23 ' HD3' ' A' ' 151' ' ' ARG . 2.4 tm? -51.55 -43.8 62.49 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 123.154 0.581 . . . . 0.0 111.282 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.54 -54.82 27.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 120.832 0.348 . . . . 0.0 111.426 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -61.35 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.527 0.68 . . . . 0.0 109.667 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.6 m -59.01 -42.38 89.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.614 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.632 ' HG2' HG12 ' A' ' 144' ' ' ILE . 8.2 tpt -63.91 -37.73 88.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.907 -176.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.7 p -84.96 -17.48 37.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.839 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.445 ' ND2' HH22 ' A' ' 69' ' ' ARG . 10.9 m-80 -73.11 -43.54 61.56 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.896 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.929 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 76.5 m-20 -77.53 82.86 3.95 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 173.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.553 HD11 HG22 ' A' ' 40' ' ' VAL . 19.2 pt -64.75 -11.88 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.14 -175.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -82.66 4.31 25.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.726 0.298 . . . . 0.0 111.044 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.929 ' HE2' ' HB2' ' A' ' 24' ' ' ASP . 50.1 mttm -85.22 -21.6 29.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.202 0.525 . . . . 0.0 109.64 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.525 ' HB2' HG21 ' A' ' 38' ' ' VAL . 49.7 m0 -56.97 -44.58 99.84 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.783 -176.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 49.3 Cg_exo -57.95 -25.4 69.84 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.876 1.717 . . . . 0.0 112.568 175.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.71 -38.11 21.19 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.872 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.6 ' HG ' ' HG3' ' A' ' 143' ' ' ARG . 11.0 mp -79.9 -56.33 4.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.802 0.334 . . . . 0.0 110.785 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -76.23 168.87 19.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.732 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.1 m -115.54 -39.35 3.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.4 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.55 -31.39 68.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.595 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -76.69 122.4 24.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -176.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.84 -29.34 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.481 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -163.34 143.31 8.78 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.978 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.525 HG21 ' HB2' ' A' ' 28' ' ' TRP . 99.3 t -109.88 92.0 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 172.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.13 113.87 25.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.082 -169.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.553 HG22 HD11 ' A' ' 25' ' ' ILE . 34.4 t -71.72 119.6 18.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.251 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 51' ' ' ARG . 91.4 mt -90.1 -24.02 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.003 0.43 . . . . 0.0 110.524 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.96 169.48 31.51 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.014 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -140.96 150.25 42.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.917 0.389 . . . . 0.0 110.789 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 32.2 t70 -143.15 56.69 1.39 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.354 177.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t70 59.96 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.201 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -68.93 -29.63 67.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.085 0.469 . . . . 0.0 110.332 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 44' ' ' ASP . 52.8 mttm -103.48 137.93 40.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.268 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 69' ' ' ARG . 5.8 p -133.75 109.43 13.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.554 0.692 . . . . 0.0 109.355 167.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 m -91.83 122.87 34.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.404 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -129.5 149.4 51.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.28 0.562 . . . . 0.0 111.12 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HB2' HD11 ' A' ' 41' ' ' LEU . 41.6 ttt180 -101.33 118.77 37.65 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.827 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.524 ' O ' ' HA ' ' A' ' 64' ' ' SER . 22.7 mt -86.7 100.86 12.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.227 176.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 m -99.15 114.51 27.3 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.735 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.4 mtp -97.07 -177.51 3.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.164 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -77.28 147.22 75.76 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -58.16 138.64 86.99 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.6 2.2 . . . . 0.0 111.766 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -76.21 -175.21 3.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.58 -29.84 70.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.662 0.267 . . . . 0.0 111.711 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -78.35 -25.33 46.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.994 0.426 . . . . 0.0 110.454 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.98 -6.26 13.39 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.779 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -72.67 124.41 25.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.832 0.349 . . . . 0.0 110.771 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.1 t -87.77 103.96 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -71.77 128.29 35.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.429 0.633 . . . . 0.0 111.621 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 24.0 m -146.06 142.74 28.87 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.999 178.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.2 p90 -147.59 162.87 38.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.925 0.393 . . . . 0.0 110.949 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -98.75 127.91 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.696 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -132.46 154.63 49.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.395 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -120.1 124.96 47.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.202 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.594 ' HB3' HG13 ' A' ' 48' ' ' VAL . 51.2 ttt-85 -102.22 120.14 39.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.005 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.0 t -110.82 130.04 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.06 112.14 24.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.738 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -107.73 99.4 29.45 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.746 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.3 -19.38 19.75 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.147 2.565 . . . . 0.0 112.699 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.22 -44.98 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.221 0.534 . . . . 0.0 110.094 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m -89.09 -5.49 57.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.419 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 58.9 46.4 13.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.773 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.431 ' CG2' HG13 ' A' ' 94' ' ' VAL . 90.7 m -131.38 131.26 43.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.626 -173.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 76.2 t -102.62 102.42 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 169.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -92.13 112.26 24.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.545 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.29 103.43 12.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.43 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -101.21 141.5 33.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HD2' ' SD ' ' A' ' 91' ' ' MET . 12.2 ttt-85 -83.8 107.04 15.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.31 -44.51 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.266 0.555 . . . . 0.0 110.523 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -100.41 141.24 33.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 65.9 p -96.81 -168.88 1.78 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.969 0.414 . . . . 0.0 111.073 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -177.95 -113.22 0.35 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.71 -18.1 42.31 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.599 2.2 . . . . 0.0 110.829 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -105.31 147.22 28.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.807 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -88.26 -35.47 17.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.824 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.457 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 89.3 t80 -148.59 126.56 11.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.67 -175.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.539 ' SD ' ' HD2' ' A' ' 82' ' ' ARG . 79.3 mtp -133.48 105.77 7.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -122.21 101.97 7.85 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.535 HG12 ' HG3' ' A' ' 110' ' ' GLN . 15.0 mt -94.95 104.87 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.236 0.541 . . . . 0.0 109.964 -177.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.594 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 95.1 t -93.95 103.67 14.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.887 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.585 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 12.7 m0 -86.97 97.56 10.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.906 178.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.486 ' HG3' HG12 ' A' ' 94' ' ' VAL . 43.9 mt-10 -95.7 136.59 35.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.824 0.345 . . . . 0.0 110.763 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.541 ' HE2' HG23 ' A' ' 78' ' ' VAL . 63.8 m-85 -114.53 115.58 27.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.482 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.17 139.33 40.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.397 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.83 99.56 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.598 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 m -113.32 156.77 22.79 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.757 0.313 . . . . 0.0 110.2 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.85 6.81 2.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.987 0.422 . . . . 0.0 111.632 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -114.0 -2.52 13.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.939 176.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.6 -169.28 20.82 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.853 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 m -84.47 106.56 16.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 94.1 t -83.76 116.57 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.882 0.372 . . . . 0.0 110.341 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 51.5 ttp -97.05 122.19 39.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.704 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.444 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 17.8 mtm180 -115.1 117.69 31.26 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.084 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -86.81 88.49 7.69 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.594 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 76.6 m -81.52 88.06 6.2 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.332 176.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.535 ' HG3' HG12 ' A' ' 93' ' ' ILE . 53.1 tt0 -92.07 102.29 14.83 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.674 -177.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -89.74 94.27 9.77 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.531 ' HD1' ' HG2' ' A' ' 110' ' ' GLN . 52.3 p90 -116.38 121.86 43.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.781 0.801 . . . . 0.0 111.443 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -97.97 125.25 42.82 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.858 174.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 86.7 mmm -83.93 148.63 26.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.515 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.45 ' HB3' ' OD2' ' A' ' 117' ' ' ASP . 3.5 mmmp? -74.78 131.95 78.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 50.3 Cg_exo -56.75 -5.01 1.02 Allowed 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 123.601 2.868 . . . . 0.0 113.159 177.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' A' ' 115' ' ' LYS . 8.2 m-20 -70.7 -28.43 64.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.118 175.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.486 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -95.57 139.9 22.13 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.132 -176.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 3.2 Cg_endo -87.01 21.7 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.604 2.869 . . . . 0.0 113.033 -177.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.0 m -92.3 121.91 43.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.256 0.551 . . . . 0.0 110.033 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -100.85 76.95 1.82 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.478 -169.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 60.35 -79.17 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 O-C-N 124.046 0.841 . . . . 0.0 112.017 174.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.46 ' HA ' ' HB ' ' A' ' 126' ' ' THR . . . -59.03 -23.97 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.374 -173.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -56.15 -58.47 7.78 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.374 0.607 . . . . 0.0 109.586 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.634 ' O ' HG12 ' A' ' 129' ' ' ILE . 96.4 mmm -69.52 -42.38 74.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.394 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.46 ' HB ' ' HA ' ' A' ' 123' ' ' ALA . 94.1 m -55.84 -42.97 76.56 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.08 -35.63 74.33 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.584 -0.446 . . . . 0.0 109.958 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -62.2 -37.24 84.54 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.288 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.634 HG12 ' O ' ' A' ' 125' ' ' MET . 46.3 mm -54.35 -53.82 26.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -52.12 -56.47 14.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.01 -62.1 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.937 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -63.2 -56.0 20.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.648 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.607 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 16.6 m -62.53 -49.57 74.79 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.648 -174.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -64.95 -33.44 76.03 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.386 -172.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.7 m -61.26 -47.82 84.29 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.359 0.6 . . . . 0.0 110.152 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.415 ' O ' HG13 ' A' ' 140' ' ' ILE . 98.0 mt-30 -69.06 -36.15 77.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.964 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.502 ' HG3' ' O ' ' A' ' 133' ' ' SER . 90.5 mtp -66.79 -33.22 75.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.401 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . . . -61.7 -41.76 98.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.9 tt -63.65 -40.48 96.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.064 175.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 136' ' ' GLN . 83.8 mt -66.63 -41.71 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.804 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 141' ' ' ARG . 6.3 tmm_? -58.95 -41.57 87.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.984 177.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.96 -47.48 84.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.569 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.6 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 18.9 mmt180 -62.41 -40.71 97.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.695 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.632 HG12 ' HG2' ' A' ' 21' ' ' MET . 37.6 mt -67.13 -41.66 87.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.544 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.11 -33.45 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 110.202 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -58.86 -54.46 46.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.065 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.429 ' HB3' HD11 ' A' ' 17' ' ' LEU . . . -66.37 -33.09 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.387 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.57 -34.13 69.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.991 0.424 . . . . 0.0 110.793 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -66.22 -24.63 72.07 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -82.91 -66.23 0.92 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.527 173.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.504 ' HD3' HD23 ' A' ' 17' ' ' LEU . 20.6 ttt180 -81.45 99.74 8.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.266 0.555 . . . . 0.0 110.4 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 152' ' ' ARG . 48.0 mtt180 -94.92 109.9 21.85 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.21 177.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 24.7 m -56.42 137.34 53.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.316 -176.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -61.56 150.1 37.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.148 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 24.0 p -72.93 88.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.28 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 48.8 t -83.34 108.93 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.084 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 91.4 mt -75.61 -65.61 0.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.703 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -109.97 159.9 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.054 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 162' ' ' HIS . 11.9 p-10 -69.37 -57.41 5.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 55.9 tp 46.56 -87.97 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.073 0.949 . . . . 0.0 112.943 175.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -69.95 -34.88 73.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.175 0.512 . . . . 0.0 110.239 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.469 ' O ' ' HB2' ' A' ' 159' ' ' ASP . 84.6 m-70 -89.78 99.73 12.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.142 -177.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -78.78 149.45 32.63 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -77.39 15.77 0.72 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.019 0.438 . . . . 0.0 112.05 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -137.47 -98.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 171.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -153.88 5.18 0.3 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 168.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 . . . . . 0 C--O 1.244 0.783 0 CA-C-N 114.529 -1.214 . . . . 0.0 108.32 -178.551 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -112.29 115.09 28.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.123 177.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.27 176.53 19.3 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.89 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.671 ' HB3' ' HA ' ' A' ' 111' ' ' ASP . 2.0 p-80 -151.28 133.8 15.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.045 0.45 . . . . 0.0 111.063 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.454 ' OG1' ' HA ' ' A' ' 126' ' ' THR . 7.2 m -106.03 119.59 39.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.376 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.19 98.52 10.52 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -101.7 96.75 7.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.603 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 0.7 OUTLIER -104.45 151.21 23.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.852 0.358 . . . . 0.0 111.226 -176.12 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.552 HG21 ' HB3' ' A' ' 137' ' ' MET . 13.5 tt -151.65 137.19 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.711 173.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.2 m -85.18 116.82 23.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.908 0.385 . . . . 0.0 110.768 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.542 HG22 ' H ' ' A' ' 13' ' ' ALA . 35.6 mt -105.26 130.51 56.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.4 59.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.006 0.431 . . . . 0.0 111.659 -173.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.542 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -71.48 141.64 85.67 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.545 ' HB2' HD13 ' A' ' 17' ' ' LEU . 46.6 Cg_exo -57.23 149.27 65.18 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.945 2.43 . . . . 0.0 112.399 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mtp -59.49 -41.81 90.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.535 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.527 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 1.6 pm0 -69.44 -30.95 68.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.033 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 14' ' ' PRO . 11.2 mp -73.65 -38.86 64.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.46 . . . . 0.0 109.798 176.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.456 ' HA ' HD11 ' A' ' 144' ' ' ILE . 70.7 t -63.69 -40.69 89.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.895 173.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.427 ' HD1' HD21 ' A' ' 23' ' ' ASN . 17.8 t-105 -64.44 -50.94 65.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.929 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.448 HG22 ' HA ' ' A' ' 17' ' ' LEU . 15.3 t -64.64 -31.25 72.39 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.708 0.29 . . . . 0.0 111.053 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.2 mmm -72.11 -37.22 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.663 0.268 . . . . 0.0 111.218 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -82.36 -15.77 51.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.588 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.427 HD21 ' HD1' ' A' ' 19' ' ' TRP . 97.8 m-20 -74.45 -34.39 63.17 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 110.55 176.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -87.56 84.23 7.15 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.603 HD11 HG22 ' A' ' 40' ' ' VAL . 32.5 pt -71.33 -8.98 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.587 -171.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -73.29 -6.65 47.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.764 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -97.94 -10.72 24.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.53 ' HB2' HG21 ' A' ' 38' ' ' VAL . 37.2 m0 -55.39 -46.82 99.64 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 47.5 Cg_exo -57.83 -19.78 40.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.281 1.988 . . . . 0.0 113.099 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.83 -18.83 57.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.303 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' HG ' ' CB ' ' A' ' 143' ' ' ARG . 10.1 mp -104.58 -53.8 2.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.085 0.469 . . . . 0.0 110.357 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 34' ' ' GLU . 6.0 t80 -93.47 99.4 11.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.6 m -68.51 -2.66 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -171.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 7.7 mm-40 -84.14 -19.82 33.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.987 0.422 . . . . 0.0 110.85 178.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -87.49 132.92 33.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.221 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.14 -49.48 6.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.9 p -148.43 115.84 6.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.877 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.53 HG21 ' HB2' ' A' ' 28' ' ' TRP . 91.3 t -90.22 104.53 15.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 173.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -108.55 129.45 55.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.203 -168.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.603 HG22 HD11 ' A' ' 25' ' ' ILE . 38.1 t -76.97 118.52 23.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.857 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.6 tp -84.49 -39.08 19.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.0 156.27 15.44 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.658 ' HB3' HG23 ' A' ' 48' ' ' VAL . 20.3 ptt180 -151.0 141.17 22.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.773 0.787 . . . . 0.0 112.12 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -117.46 58.07 0.8 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.941 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 61.82 -83.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.925 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.98 -31.14 58.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.323 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -108.97 108.67 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.713 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.658 HG23 ' HB3' ' A' ' 43' ' ' ARG . 4.2 p -125.92 122.3 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 111.699 -175.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 m -95.37 116.64 29.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.517 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -121.88 143.33 49.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.607 0.718 . . . . 0.0 111.803 -174.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -97.49 113.42 25.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.745 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 64' ' ' SER . 55.2 mt -90.98 99.0 12.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.513 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.0 m -91.78 109.0 20.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.513 174.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.8 mmm -81.65 172.92 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.427 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -67.24 133.64 93.37 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 175.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.48 119.23 4.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.998 2.466 . . . . 0.0 111.885 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -75.45 168.09 20.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.142 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.8 -20.1 65.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.963 0.411 . . . . 0.0 111.027 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.29 -23.97 64.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.524 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.84 -26.31 24.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.946 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -70.73 125.38 26.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.993 0.425 . . . . 0.0 110.22 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.77 113.16 19.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.635 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -78.58 109.35 12.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.115 0.484 . . . . 0.0 110.51 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 22.8 t -135.53 123.18 22.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.545 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.2 p90 -131.28 155.25 47.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.114 0.483 . . . . 0.0 111.177 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -94.33 127.48 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.775 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.401 ' HA ' ' H ' ' A' ' 83' ' ' VAL . 19.8 m -133.19 162.16 32.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -131.05 132.51 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.165 0.507 . . . . 0.0 110.999 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -108.85 112.7 25.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.364 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.47 116.46 38.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.34 130.16 56.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.818 0.342 . . . . 0.0 111.702 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -103.12 101.56 22.64 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.49 -34.22 76.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.746 2.298 . . . . 0.0 112.315 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.1 t -75.39 -51.65 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.85 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 m -73.23 -19.88 60.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.053 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 61.74 48.7 5.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.634 0.73 . . . . 0.0 109.928 -177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -137.75 139.33 40.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.886 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 45.8 t -123.42 136.12 61.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.906 0.384 . . . . 0.0 110.969 -178.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -117.14 107.17 14.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.52 94.35 5.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.18 0.514 . . . . 0.0 110.153 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -100.19 137.21 38.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.445 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -84.85 112.54 20.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.825 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.401 ' H ' ' HA ' ' A' ' 67' ' ' SER . 25.7 t -56.81 -42.18 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.937 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -107.19 115.29 29.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.487 174.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.481 HG22 ' HB2' ' A' ' 91' ' ' MET . 10.3 p -83.85 -41.1 17.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.928 -175.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.417 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 84.76 -118.39 4.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.074 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.417 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 6.7 Cg_exo -74.25 -7.82 20.17 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.166 2.578 . . . . 0.0 112.396 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -93.44 162.99 13.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -95.84 -36.56 11.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -146.34 139.1 25.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.964 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.481 ' HB2' HG22 ' A' ' 85' ' ' THR . 70.7 mmm -140.23 104.1 4.74 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.694 0.283 . . . . 0.0 111.061 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -133.12 109.74 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.239 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 110' ' ' GLN . 16.4 mt -101.44 104.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.927 0.394 . . . . 0.0 110.18 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.1 t -89.72 115.05 28.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.673 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.585 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 25.4 m0 -95.63 94.13 7.55 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.551 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 46.1 mt-10 -88.77 116.11 26.8 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.956 0.407 . . . . 0.0 110.095 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -93.55 118.9 31.94 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.541 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.61 117.61 34.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.127 0.489 . . . . 0.0 111.03 -173.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.66 97.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.46 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.0 m -115.81 153.78 30.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.863 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.94 -21.6 64.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.81 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -91.79 -6.02 52.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.01 -169.13 24.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.32 -177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -89.4 107.97 19.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.658 0.266 . . . . 0.0 110.565 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 86.0 t -82.84 107.61 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 53.4 ttp -90.51 117.0 28.86 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.927 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.603 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 37.0 mtp85 -107.49 110.96 23.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.031 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -97.78 92.14 5.71 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.0 m -95.7 100.51 12.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.138 0.494 . . . . 0.0 110.187 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.569 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 51.7 tt0 -89.98 106.1 18.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.331 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.671 ' HA ' ' HB3' ' A' ' 4' ' ' HIS . 20.2 t70 -93.12 114.31 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.643 ' HE2' ' HA ' ' A' ' 122' ' ' ASP . 37.8 p90 -133.5 135.42 44.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.267 0.556 . . . . 0.0 111.065 -174.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -105.43 125.52 51.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.91 176.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 62.0 mtp -127.65 171.79 11.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.109 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.653 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 51.4 tttm 176.77 -45.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.734 -176.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 1.7 Cg_endo -43.88 171.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.365 1.438 0 C-N-CA 123.327 2.685 . . . . 0.0 114.049 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -70.93 17.6 0.07 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.367 -1.288 . . . . 0.0 113.181 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -65.37 128.16 93.55 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 26.9 Cg_exo -63.02 -16.5 54.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.055 2.504 . . . . 0.0 113.279 -175.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.623 HG12 ' HD1' ' A' ' 124' ' ' TRP . 16.1 m -91.69 126.28 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.222 0.534 . . . . 0.0 110.472 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.35 168.24 12.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.643 ' HA ' ' HE2' ' A' ' 112' ' ' PHE . 4.9 p-10 -59.02 -34.86 72.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.932 0.396 . . . . 0.0 110.088 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.41 80.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.623 ' HD1' HG12 ' A' ' 120' ' ' VAL . 19.8 t-105 -69.78 -39.57 76.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.749 0.309 . . . . 0.0 110.502 -176.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.519 ' O ' HG13 ' A' ' 129' ' ' ILE . 35.2 mtp -69.05 -27.33 65.55 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.82 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.454 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 84.5 m -60.72 -44.66 96.34 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.33 -39.52 94.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.73 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -61.58 -44.79 96.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.721 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 125' ' ' MET . 79.7 mt -62.94 -40.46 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.632 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -52.75 -62.01 1.92 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -58.56 -67.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.316 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -66.07 -52.57 47.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.007 -170.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.68 ' O ' ' HG2' ' A' ' 137' ' ' MET . 24.2 m -62.93 -40.62 98.18 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.605 -174.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -68.12 -32.87 73.47 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.548 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 62.1 m -65.75 -40.59 92.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.476 ' O ' HG13 ' A' ' 140' ' ' ILE . 83.4 mm-40 -63.87 -37.6 87.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.499 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.68 ' HG2' ' O ' ' A' ' 133' ' ' SER . 18.7 mmt -61.26 -39.21 89.51 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.754 178.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.95 81.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.061 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 60.1 tp -71.64 -46.64 58.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.785 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 144' ' ' ILE . 75.2 mt -61.63 -49.56 83.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.64 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.405 ' HA ' HG22 ' A' ' 144' ' ' ILE . 79.6 ttt180 -57.54 -45.11 85.46 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -53.12 -38.25 62.49 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.589 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.499 ' CB ' ' HG ' ' A' ' 31' ' ' LEU . 6.7 mmp_? -86.32 -51.03 6.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.802 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 140' ' ' ILE . 15.8 tt -69.43 -37.09 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -171.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -73.23 -29.46 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.159 0.504 . . . . 0.0 109.898 -177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -70.44 -50.84 34.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.996 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.71 97.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.578 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -82.68 -6.95 59.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.927 0.394 . . . . 0.0 111.267 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -91.43 -46.89 3.65 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 173.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.38 -51.89 21.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.75 -0.225 . . . . 0.0 110.533 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 66.58 118.82 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . 0.491 ' HA ' HD22 ' A' ' 157' ' ' LEU . 52.2 mtt180 -82.4 -2.02 51.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.366 174.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.2 m -78.69 -8.9 59.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.252 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -102.05 162.29 13.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.845 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 23.4 p -72.3 -56.46 5.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 46.4 t -97.19 107.23 19.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 152' ' ' ARG . 33.6 mt -50.08 -75.06 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.911 0.757 . . . . 0.0 111.05 -173.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -100.04 133.3 44.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.691 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.32 -13.05 61.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.031 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.92 108.27 3.93 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.47 129.39 40.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.287 0.565 . . . . 0.0 111.946 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -93.43 135.05 35.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -79.61 -10.29 59.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.933 0.397 . . . . 0.0 111.543 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.93 145.62 30.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.07 174.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -115.72 130.57 56.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.618 -171.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -95.33 -163.74 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 77.9 t60 . . . . . 0 C--O 1.246 0.912 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 169.856 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.507 ' O ' ' HA ' ' A' ' 113' ' ' ALA . 74.1 mtm . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.17 122.69 41.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.975 0.416 . . . . 0.0 111.035 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.54 152.37 16.92 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -121.91 111.29 16.9 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -105.58 111.55 24.29 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -94.67 87.73 5.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.4 . . . . 0.0 110.899 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.438 HD21 HG22 ' A' ' 129' ' ' ILE . 85.9 m-20 -82.93 93.38 7.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.066 177.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.418 ' HG2' ' HG3' ' A' ' 107' ' ' ARG . 40.7 mt-10 -104.87 131.7 52.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.426 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.497 HD11 ' HD2' ' A' ' 141' ' ' ARG . 17.2 tt -140.22 132.89 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 0.0 110.523 176.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.2 m -85.78 107.63 17.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.563 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 13' ' ' ALA . 53.0 mt -90.0 133.95 30.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.53 17.75 1.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.839 0.352 . . . . 0.0 111.895 -175.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.42 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -107.52 149.86 39.37 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HB2' HD13 ' A' ' 17' ' ' LEU . 39.4 Cg_exo -57.27 140.53 93.19 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.846 2.364 . . . . 0.0 112.372 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 73.9 mtp -53.96 -39.0 65.56 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.519 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -59.97 -42.85 95.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.361 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.617 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.4 mp -75.91 -36.03 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 -178.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.73 -47.74 88.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.281 173.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.483 ' O ' ' HB3' ' A' ' 23' ' ' ASN . 11.2 t-105 -63.94 -54.13 39.44 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.617 HG22 ' HA ' ' A' ' 17' ' ' LEU . 11.0 t -59.23 -33.76 71.39 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -174.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.8 mmm -76.52 -43.24 40.17 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.461 0.172 . . . . 0.0 111.44 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.2 p -77.97 -18.12 56.37 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.338 0.59 . . . . 0.0 110.678 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.512 ' HA ' HH22 ' A' ' 69' ' ' ARG . 0.0 OUTLIER -72.8 -33.8 66.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.525 174.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -81.76 93.61 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.257 0.551 . . . . 0.0 109.724 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.631 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 15.8 pt -70.43 -15.39 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.789 -174.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -77.43 -0.95 27.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.984 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -119.21 5.45 11.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.377 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.631 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 43.4 m0 -61.62 -46.81 93.75 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.994 176.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 31.3 Cg_exo -61.12 -14.24 32.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.302 2.001 . . . . 0.0 112.512 177.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.91 -32.25 53.75 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.752 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mp -98.32 -46.28 5.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.402 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -98.21 106.93 19.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.573 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m -79.25 8.91 5.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -86.73 -6.9 58.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.675 0.274 . . . . 0.0 111.205 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -124.19 147.38 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.964 0.411 . . . . 0.0 110.741 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.442 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . . . -92.09 -42.44 9.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.582 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.7 t -152.06 153.93 34.94 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.546 -177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG11 ' HB ' ' A' ' 25' ' ' ILE . 69.3 t -115.91 116.62 52.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.754 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 33.5 tt0 -93.67 108.38 20.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.425 -173.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 25' ' ' ILE . 22.1 t -78.49 100.25 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.919 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.429 HD12 HG22 ' A' ' 49' ' ' THR . 92.7 mt -70.63 -42.15 71.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.131 0.491 . . . . 0.0 110.076 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.69 168.37 19.28 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.191 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 79.0 mtt180 -94.65 122.13 36.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.895 0.379 . . . . 0.0 110.087 177.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -93.62 84.6 4.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.6 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 68.03 -79.08 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.603 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -121.57 -6.17 9.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.672 0.749 . . . . 0.0 109.654 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.689 ' HG2' HG22 ' A' ' 70' ' ' VAL . 27.2 mttp -99.62 173.02 6.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.544 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 5.2 p -138.15 122.95 22.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.084 0.469 . . . . 0.0 110.05 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.519 HG23 ' HG2' ' A' ' 68' ' ' GLU . 16.6 m -93.65 116.06 28.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.296 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 67' ' ' SER . 13.3 p90 -119.07 133.59 55.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.754 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 45.7 ttt180 -110.43 99.33 8.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.937 -176.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 65' ' ' TRP . 5.4 mp -73.86 119.04 17.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.933 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 m -100.38 116.86 33.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.626 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 63.0 mtt -86.47 -179.91 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.655 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.442 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 47.3 m80 -80.66 137.47 51.12 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.526 ' HB3' HG22 ' A' ' 62' ' ' VAL . 9.7 Cg_endo -53.15 109.44 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.042 2.495 . . . . 0.0 111.746 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.06 157.91 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.559 -177.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.45 -19.34 63.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.804 0.335 . . . . 0.0 110.944 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.68 -9.98 59.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.461 0.648 . . . . 0.0 110.37 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.55 29.39 24.42 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.652 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -120.43 118.89 31.47 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.743 0.306 . . . . 0.0 110.377 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.526 HG22 ' HB3' ' A' ' 56' ' ' PRO . 43.9 t -84.87 105.59 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -75.96 128.05 34.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.304 0.573 . . . . 0.0 111.163 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 p -126.86 131.95 51.06 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.494 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.515 ' HB3' ' HB2' ' A' ' 52' ' ' LEU . 9.4 t90 -111.41 119.43 38.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.505 HG22 ' HG3' ' A' ' 51' ' ' ARG . 48.8 t -104.22 110.53 30.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.136 0.493 . . . . 0.0 110.062 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.475 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 23.1 t -127.06 148.87 50.12 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.519 ' HG2' HG23 ' A' ' 49' ' ' THR . 40.5 mt-10 -121.93 126.79 49.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 79' ' ' ARG . 30.5 ptt180 -124.33 142.84 50.95 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.335 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.689 HG22 ' HG2' ' A' ' 47' ' ' LYS . 32.9 t -105.5 114.29 44.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.513 175.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.457 ' HA ' HG22 ' A' ' 78' ' ' VAL . . . -99.82 101.7 12.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.742 0.306 . . . . 0.0 110.56 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 24.5 t70 -99.57 112.16 62.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.267 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 7.7 Cg_exo -73.28 -19.34 22.49 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 123.114 2.543 . . . . 0.0 112.664 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.0 t -70.48 -53.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.076 0.465 . . . . 0.0 110.804 -176.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.7 p -92.35 -7.6 47.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.588 ' HB3' ' HB2' ' A' ' 97' ' ' TYR . 47.5 mtm-85 56.03 49.97 14.67 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.918 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.0 m -130.99 123.07 27.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.114 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 48.7 t -108.78 123.71 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.239 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.615 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 79.7 mtt-85 -105.09 106.47 16.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.47 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.14 105.45 15.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -90.85 130.3 36.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.318 0.58 . . . . 0.0 110.409 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.498 ' HD3' ' SD ' ' A' ' 91' ' ' MET . 34.4 ttt180 -95.7 123.73 39.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.311 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.2 t -80.27 -57.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.646 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -58.83 121.87 12.18 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.739 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.606 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 18.9 p -83.51 -85.66 0.12 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.644 -177.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.46 -121.39 6.08 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.64 -20.78 19.92 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.444 2.096 . . . . 0.0 111.493 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.606 ' O ' ' HB ' ' A' ' 85' ' ' THR . 88.5 m-85 -98.12 155.66 17.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.155 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.6 HE21 ' HB2' ' A' ' 115' ' ' LYS . 5.5 tt0 -100.32 -27.56 13.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.405 0.621 . . . . 0.0 109.86 175.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.748 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 54.6 t80 -151.78 135.65 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.142 -173.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.498 ' SD ' ' HD3' ' A' ' 82' ' ' ARG . 67.6 mtp -148.28 109.29 4.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 111.438 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -118.37 116.54 26.95 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.3 mt -102.43 113.36 38.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.036 0.446 . . . . 0.0 110.406 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.49 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 54.8 t -100.27 111.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.737 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.563 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 48.7 m0 -96.87 106.77 19.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.168 177.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 77.1 mt-10 -102.85 129.88 49.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.904 0.383 . . . . 0.0 110.31 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.588 ' HB2' ' HB3' ' A' ' 76' ' ' ARG . 15.4 m-85 -102.44 111.62 23.99 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.74 135.13 47.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.173 0.511 . . . . 0.0 111.297 -173.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.59 126.64 31.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.967 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 m -147.27 156.74 43.2 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.07 -23.5 55.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.05 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -79.75 -25.94 40.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.187 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.01 -169.28 33.61 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.736 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.1 m -85.69 113.19 21.7 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.669 0.271 . . . . 0.0 110.479 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.494 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -89.74 105.36 16.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 37.6 ttp -98.13 123.79 42.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.0 110.126 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.57 ' HB3' ' HB2' ' A' ' 96' ' ' GLU . 36.6 ttm-85 -102.72 117.45 34.68 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.354 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -102.76 90.69 3.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.49 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 22.0 m -88.62 106.26 18.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.19 178.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.52 104.16 16.31 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.334 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -85.9 96.2 9.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 39.7 p90 -117.93 138.76 51.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.897 0.379 . . . . 0.0 110.64 -176.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.748 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -124.38 136.09 53.81 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.95 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.8 mtp -97.38 -167.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.6 ' HB2' HE21 ' A' ' 89' ' ' GLN . 59.5 tttp -170.04 -55.82 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.475 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 30.8 Cg_endo -64.21 -13.12 36.09 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 122.025 1.817 . . . . 0.0 113.875 -175.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 69.94 78.75 0.19 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.609 0.719 . . . . 0.0 110.699 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.89 159.35 60.49 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.836 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.85 -33.59 61.86 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.669 2.246 . . . . 0.0 111.679 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.3 m -82.44 116.77 27.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.793 173.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -75.24 167.94 20.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.538 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.54 -40.9 69.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.542 0.687 . . . . 0.0 109.277 176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.52 81.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.32 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -70.47 -36.99 74.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 28.7 mtp -66.92 -35.51 80.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.052 176.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 84.8 m -57.05 -47.92 79.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.608 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.24 -44.15 84.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.994 0.426 . . . . 0.0 110.683 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -57.53 -46.87 83.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.632 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.438 HG22 HD21 ' A' ' 7' ' ' ASN . 86.0 mt -61.96 -48.04 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.598 177.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.52 -47.39 82.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.203 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -63.55 -51.77 63.97 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.981 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.72 -44.38 93.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.771 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' ' 137' ' ' MET . 23.0 t -66.02 -42.42 89.68 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.645 -178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -55.47 -38.48 69.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.435 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.3 m -66.82 -50.27 63.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.861 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.05 -40.91 82.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.741 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 133' ' ' SER . 96.4 mmm -64.88 -31.09 72.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.627 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.7 93.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 109.993 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.73 -47.57 83.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.29 175.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.68 -46.3 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.546 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.497 ' HD2' HD11 ' A' ' 9' ' ' ILE . 49.7 ttt-85 -53.97 -51.53 63.58 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.444 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 33.7 t70 -58.14 -50.03 74.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.248 -177.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -70.66 -27.96 64.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.579 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 14.3 mm -65.54 -42.97 94.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 141' ' ' ARG . 45.9 mt-10 -62.06 -40.9 97.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 176.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 96.2 mt-30 -64.6 -50.98 65.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.34 178.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.68 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.311 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.536 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -71.62 -28.06 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.728 0.299 . . . . 0.0 110.775 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -75.33 -42.19 28.76 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.629 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -68.72 -39.43 80.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 65.72 -80.23 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.464 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -175.22 28.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 3.5 m -85.59 103.78 14.74 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.584 -177.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -78.67 76.34 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.281 0.562 . . . . 0.0 110.488 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 56.9 m -156.75 -28.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.266 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.65 139.43 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.287 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 96.8 mt -135.82 158.07 45.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.641 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.8 -43.75 71.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.758 0.313 . . . . 0.0 110.506 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -100.33 125.83 46.61 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 92.7 mt -112.99 136.85 52.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.243 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 163' ' ' HIS . 31.9 tt0 -83.24 119.3 24.4 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -60.93 -44.61 96.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.21 -173.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 161' ' ' GLU . 10.2 m170 -98.93 107.07 19.41 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 172.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -56.9 -33.77 67.25 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.245 0.545 . . . . 0.0 110.351 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -101.48 106.34 17.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 164.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -44.56 -47.86 10.26 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.878 0.736 . . . . 0.0 112.089 -170.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 54.4 t60 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.656 -0.688 . . . . 0.0 109.858 175.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.846 0.355 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.14 137.59 15.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.195 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 112' ' ' PHE . . . -109.89 105.15 1.96 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.833 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -94.52 91.72 6.75 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.568 HG23 HG23 ' A' ' 126' ' ' THR . 6.2 m -106.1 112.61 25.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -173.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -96.6 103.72 15.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.795 0.331 . . . . 0.0 110.345 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 32.7 m-80 -97.09 98.64 10.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -178.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -100.9 143.05 31.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.995 0.426 . . . . 0.0 111.219 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 137' ' ' MET . 12.5 tt -159.96 132.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.373 175.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.0 m -86.5 101.97 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.289 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.491 HD13 HD12 ' A' ' 144' ' ' ILE . 66.8 mt -79.32 132.55 31.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.76 52.9 1.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.981 0.42 . . . . 0.0 112.009 -173.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.49 148.25 36.43 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.875 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.32 144.33 99.5 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.832 2.355 . . . . 0.0 112.082 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.493 ' HG2' HG23 ' A' ' 104' ' ' THR . 83.2 mtp -54.84 -39.16 68.29 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.615 -175.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -57.79 -45.21 86.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.324 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 148' ' ' ALA . 9.6 mp -78.1 -34.47 50.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.548 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.39 -43.93 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.346 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -65.26 -49.86 67.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.699 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 17' ' ' LEU . 12.4 t -64.43 -22.3 66.92 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.027 0.442 . . . . 0.0 111.149 -177.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.6 mmm -84.39 -43.3 14.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.947 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.639 ' HB ' ' HZ3' ' A' ' 95' ' ' TRP . 32.8 p -90.17 -21.95 21.95 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -172.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.582 ' HA ' ' NH2' ' A' ' 69' ' ' ARG . 63.6 t30 -79.25 -30.16 43.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.339 . . . . 0.0 110.525 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -74.32 106.32 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.586 HD11 HG22 ' A' ' 40' ' ' VAL . 24.9 pt -66.26 -18.61 24.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.919 -173.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -85.86 -1.17 57.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.832 0.349 . . . . 0.0 111.179 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -95.26 -13.81 24.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.398 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.502 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 48.3 m0 -57.38 -48.1 97.89 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.486 ' HD3' ' HB2' ' A' ' 28' ' ' TRP . 31.4 Cg_exo -60.04 -22.8 70.9 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.106 1.87 . . . . 0.0 112.74 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.53 -20.89 67.92 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.015 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.742 ' HG ' ' HG2' ' A' ' 143' ' ' ARG . 10.1 mp -103.34 -58.64 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.142 0.496 . . . . 0.0 110.198 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -91.31 104.49 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.682 -178.685 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -80.09 18.29 0.87 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.155 -173.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -95.65 -20.74 18.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.165 0.507 . . . . 0.0 110.577 176.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.475 ' CD1' HD21 ' A' ' 52' ' ' LEU . 10.0 m-30 -88.07 135.3 33.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -178.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.84 -59.72 2.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.238 0.542 . . . . 0.0 109.725 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 p -147.3 122.88 10.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.513 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG11 ' HB ' ' A' ' 25' ' ' ILE . 78.2 t -87.39 107.12 16.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 174.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 34.3 tt0 -96.8 119.34 35.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.513 -170.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 25' ' ' ILE . 21.5 t -70.2 104.82 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.868 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 tp -78.3 -34.1 48.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.012 0.434 . . . . 0.0 110.055 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.23 156.32 8.81 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.158 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.498 ' HG2' HG23 ' A' ' 48' ' ' VAL . 49.6 mtt180 -109.7 156.05 20.75 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -137.91 158.6 44.01 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.83 -28.68 61.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.831 0.348 . . . . 0.0 111.321 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -106.61 -18.71 13.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.863 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.846 ' HG2' HG22 ' A' ' 70' ' ' VAL . 60.7 mttp -144.28 168.17 20.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.396 0.617 . . . . 0.0 112.225 -169.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.498 HG23 ' HG2' ' A' ' 43' ' ' ARG . 5.6 p -134.91 116.78 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 169.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 m -97.9 120.64 38.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.055 -173.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 67' ' ' SER . 53.6 p90 -115.5 140.72 48.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.372 0.606 . . . . 0.0 110.7 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 36.8 ttt180 -103.39 98.03 7.99 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 174.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 35' ' ' TYR . 5.1 tt -81.78 108.07 15.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.755 -173.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 64' ' ' SER . 94.5 m -86.42 102.59 14.19 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.384 175.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.512 ' HB3' ' HB2' ' A' ' 63' ' ' TRP . 10.2 tpt -75.17 137.71 41.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 175.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -58.26 140.32 83.54 Favored Pre-proline 0 C--N 1.331 -0.206 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.989 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.597 ' HB3' HG22 ' A' ' 62' ' ' VAL . 19.5 Cg_endo -58.25 139.44 90.53 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 123.237 2.624 . . . . 0.0 112.955 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.566 ' HB2' ' CH2' ' A' ' 63' ' ' TRP . 24.6 t70 -69.59 162.81 26.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.558 174.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.46 -19.88 62.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.771 0.319 . . . . 0.0 111.211 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.52 -30.76 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.19 0.519 . . . . 0.0 110.342 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.65 35.06 3.14 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.397 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 47.2 mmtm -114.24 117.12 30.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.722 -0.281 . . . . 0.0 110.652 178.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.597 HG22 ' HB3' ' A' ' 56' ' ' PRO . 38.5 t -90.95 130.42 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 57' ' ' ASP . 4.8 m0 -112.07 87.07 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.784 -174.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 35.0 m -97.21 110.49 23.03 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.893 175.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.434 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 3.2 p90 -116.44 142.21 47.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.199 0.523 . . . . 0.0 111.26 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.5 t -88.75 129.37 39.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.805 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 15.2 m -135.03 146.27 48.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.001 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -106.53 119.78 40.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.056 0.455 . . . . 0.0 110.772 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.582 ' NH2' ' HA ' ' A' ' 23' ' ' ASN . 25.7 ttt85 -107.4 117.85 35.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.887 -176.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.846 HG22 ' HG2' ' A' ' 47' ' ' LYS . 27.0 t -101.31 97.66 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.3 112.88 26.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 29.8 t70 -122.31 118.08 29.03 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.874 0.369 . . . . 0.0 110.574 176.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 8.9 Cg_exo -72.26 -24.78 19.41 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.321 2.681 . . . . 0.0 112.881 -177.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.6 -52.26 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.942 0.401 . . . . 0.0 110.448 -177.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 p -76.69 -17.56 59.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.687 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.509 ' NH1' ' HB2' ' A' ' 99' ' ' GLU . 95.0 mtt180 65.94 38.63 4.88 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.64 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.4 m -141.17 131.86 25.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.844 -178.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.602 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 50.3 t -115.43 115.81 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.6 mtt85 -101.52 104.15 15.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . . . -108.2 104.7 14.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.847 0.356 . . . . 0.0 110.371 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -100.98 134.95 43.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.279 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 ttp85 -102.58 115.14 29.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.99 0.424 . . . . 0.0 110.044 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.6 t -79.16 -36.64 18.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.724 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 22.5 mt-10 -95.82 97.43 9.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.755 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.6 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 5.1 p -95.15 -34.76 12.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.689 -171.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.464 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 78.5 -111.42 3.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.015 -177.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.464 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 16.7 Cg_exo -69.1 -21.84 35.97 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.741 2.294 . . . . 0.0 112.237 177.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.6 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 26.6 m-85 -82.98 155.03 24.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -87.03 -41.44 13.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.784 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -159.31 154.48 25.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.398 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 45.9 ttm -156.8 124.35 5.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.97 0.414 . . . . 0.0 111.115 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -134.92 133.19 39.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.425 HG23 ' HG2' ' A' ' 110' ' ' GLN . 17.8 mt -116.83 118.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 110.814 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.554 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 60.4 t -103.87 111.36 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.639 ' HZ3' ' HB ' ' A' ' 22' ' ' THR . 9.8 m0 -90.41 104.65 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.4 tt0 -98.87 124.83 44.04 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -105.21 118.66 37.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.438 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.64 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.06 150.93 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.509 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 29.5 tt0 -97.63 127.78 43.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.105 0.479 . . . . 0.0 112.132 -168.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.75 150.7 43.73 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.131 170.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.43 -21.8 55.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.083 0.468 . . . . 0.0 110.755 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -95.49 3.2 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.161 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.66 -169.16 33.93 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.699 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.493 HG23 ' HG2' ' A' ' 15' ' ' MET . 29.3 m -115.78 122.41 45.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.644 0.259 . . . . 0.0 110.333 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.64 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 56.4 t -89.4 93.94 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 41.5 ttp -101.6 129.98 47.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.226 0.536 . . . . 0.0 110.801 -174.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.54 ' HB2' ' HB3' ' A' ' 96' ' ' GLU . 97.6 mtt180 -108.07 112.85 25.61 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.005 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 16.3 m0 -87.42 84.97 7.1 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 173.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.554 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 11.9 m -78.25 94.81 4.85 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.821 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.425 ' HG2' HG23 ' A' ' 93' ' ' ILE . 96.2 mt-30 -94.44 107.47 19.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.031 -177.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -104.79 103.74 13.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.555 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CZ ' ' HA3' ' A' ' 3' ' ' GLY . 53.2 p90 -119.38 154.86 32.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.478 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -124.4 124.58 42.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.003 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.4 mtp -130.46 156.39 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.147 177.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 116' ' ' PRO . 28.1 ttpp 177.44 -47.79 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.541 -173.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 43.0 Cg_endo -69.31 116.88 4.73 Favored 'Trans proline' 0 C--N 1.357 1.011 0 C-N-CA 121.94 1.76 . . . . 0.0 113.137 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.9 t70 76.39 -27.0 0.18 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.706 0.802 . . . . 0.0 112.563 168.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.5 129.37 51.38 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.83 -173.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -89.94 25.3 0.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.221 2.614 . . . . 0.0 112.224 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.8 m -83.89 125.63 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.917 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -84.83 31.57 0.54 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.713 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 67.69 -69.35 0.14 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.559 0.744 . . . . 0.0 110.934 -178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.61 -25.24 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.372 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 -59.94 -44.29 94.46 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.225 0.536 . . . . 0.0 109.989 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.419 ' O ' HG13 ' A' ' 129' ' ' ILE . 85.7 mtp -72.87 -40.44 65.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.224 178.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.568 HG23 HG23 ' A' ' 5' ' ' THR . 84.8 m -53.83 -42.74 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.446 0.467 . . . . 0.0 111.384 179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.16 -44.45 72.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.678 0.275 . . . . 0.0 111.033 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.16 -40.68 96.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.274 177.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 125' ' ' MET . 64.5 mt -60.98 -46.65 96.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.863 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -51.41 -48.34 62.66 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.021 0.438 . . . . 0.0 111.002 177.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -69.13 -46.05 68.61 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.074 0.464 . . . . 0.0 110.921 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -67.5 -44.14 79.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.191 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 99.8 p -67.78 -44.33 77.67 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.573 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -54.56 -43.65 72.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.2 0.524 . . . . 0.0 110.099 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.5 m -69.54 -47.06 64.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.209 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 32' ' ' PHE . 8.8 tp-100 -70.83 -42.42 70.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.715 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.482 ' HB3' HG21 ' A' ' 9' ' ' ILE . 95.2 mmm -66.58 -28.56 68.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.23 99.72 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 171.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 59.7 tp -63.81 -47.89 79.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.386 176.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.536 HG23 HD23 ' A' ' 31' ' ' LEU . 73.7 mt -60.34 -41.58 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 177.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -57.26 -48.2 79.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.537 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.4 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.566 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.742 ' HG2' ' HG ' ' A' ' 31' ' ' LEU . 15.2 tpt180 -65.9 -44.98 83.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.238 -177.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.491 HD12 HD13 ' A' ' 11' ' ' ILE . 51.0 mt -65.81 -41.53 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.445 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.85 -38.08 81.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.046 0.45 . . . . 0.0 110.076 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -62.78 -46.6 87.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.28 176.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.09 82.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.557 ' HA ' HD23 ' A' ' 17' ' ' LEU . . . -72.36 -14.85 61.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.672 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -89.09 -31.14 12.38 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.95 -50.98 72.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.911 0.386 . . . . 0.0 109.972 174.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 61.85 32.92 17.92 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.59 175.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -68.38 -15.52 63.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.185 0.517 . . . . 0.0 110.839 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 4.0 m -63.3 -34.79 78.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.562 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -128.67 172.72 10.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.57 -176.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 18.6 p -106.52 -8.72 16.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.021 0.438 . . . . 0.0 110.805 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 21.1 m -94.82 159.0 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.624 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 87.5 mt -109.86 162.79 14.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.088 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.96 63.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.045 0.45 . . . . 0.0 110.67 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -130.16 124.79 33.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.425 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . 0.65 HD23 ' HB2' ' A' ' 163' ' ' HIS . 27.7 tp -82.61 148.53 27.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.364 -175.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -54.48 11.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.989 0.423 . . . . 0.0 110.514 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -79.84 -7.8 58.91 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.228 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . 0.65 ' HB2' HD23 ' A' ' 160' ' ' LEU . 88.5 m-70 -141.65 79.84 1.7 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -74.53 155.34 38.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -71.2 2.52 4.54 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -92.8 -19.48 21.7 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 48.4 m80 . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.196 179.641 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.6 mtt . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.126 0.489 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.514 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -127.18 125.84 41.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.626 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.28 152.38 34.22 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -138.31 112.86 8.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.09 0.472 . . . . 0.0 111.348 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.538 HG21 ' HB ' ' A' ' 129' ' ' ILE . 25.6 m -123.52 112.42 17.46 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.272 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -108.06 114.08 27.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.11 0.481 . . . . 0.0 110.414 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -108.1 108.39 19.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.159 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -91.27 118.75 30.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.665 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.0 tt -126.93 123.38 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.388 0.613 . . . . 0.0 110.676 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 19.1 m -86.44 117.71 25.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.155 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.456 HD13 HD12 ' A' ' 144' ' ' ILE . 56.9 mt -98.24 125.18 51.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 120.821 0.343 . . . . 0.0 110.387 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.12 79.36 9.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.466 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.23 151.7 11.86 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.699 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 18' ' ' VAL . 51.9 Cg_exo -56.49 135.18 68.87 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.861 2.374 . . . . 0.0 112.054 177.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.624 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 86.0 mtp -55.54 -32.75 63.23 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.052 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -51.9 -48.56 64.09 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.384 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.738 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.1 mp -85.2 -32.94 22.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.423 -176.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 14' ' ' PRO . 90.0 t -55.92 -48.14 78.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.758 0.313 . . . . 0.0 110.182 177.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -69.14 -44.79 71.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.42 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 17' ' ' LEU . 1.3 t -67.49 -22.89 65.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.722 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.3 mmm -82.27 -40.82 21.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.638 0.256 . . . . 0.0 111.126 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.2 p -79.08 -35.39 42.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.845 0.355 . . . . 0.0 111.245 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -68.6 -34.74 76.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -76.75 90.17 3.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.156 0.503 . . . . 0.0 109.777 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.61 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 27.0 pt -72.45 -16.74 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.339 -175.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.04 -9.99 59.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.49 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -107.36 -0.68 22.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.596 -178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 43.4 m0 -62.16 -37.76 40.92 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.38 -29.25 47.38 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.575 1.517 . . . . 0.0 112.345 172.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.42 22.85 29.9 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 178.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.513 HD11 HG23 ' A' ' 140' ' ' ILE . 31.9 tp -130.67 -42.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.34 0.591 . . . . 0.0 109.483 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.64 -174.51 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.825 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.4 m -120.6 -39.76 2.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.607 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -86.77 -27.27 23.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 111.616 -175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.47 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 67.6 m-85 -88.85 108.64 19.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.064 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.34 -32.74 19.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.912 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.406 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 11.5 t -138.33 142.35 39.72 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.276 0.56 . . . . 0.0 110.592 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' ' 28' ' ' TRP . 86.5 t -118.15 96.91 4.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.634 176.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -94.55 101.32 13.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.601 -172.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -72.78 107.93 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.91 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.3 mt -71.55 -32.6 68.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.899 0.857 . . . . 0.0 109.06 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.41 166.04 32.44 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.314 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.542 ' HB3' HG23 ' A' ' 48' ' ' VAL . 21.0 ptt180 -153.42 136.25 15.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 117.861 0.83 . . . . 0.0 111.795 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.603 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 5.1 m-20 -94.59 173.8 7.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.104 176.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.38 -34.66 48.91 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.376 0.423 . . . . 0.0 112.084 -175.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 5.7 p-10 -131.09 5.99 4.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.611 0.243 . . . . 0.0 111.536 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 60.1 mttp -132.04 97.23 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 111.154 -173.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 43' ' ' ARG . 7.0 p -95.45 124.34 48.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.114 0.483 . . . . 0.0 111.035 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.401 HG23 ' HG2' ' A' ' 68' ' ' GLU . 7.1 m -104.02 100.91 10.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.035 178.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -118.49 153.22 34.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.556 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -111.7 120.96 43.78 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.869 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.637 ' O ' ' HA ' ' A' ' 64' ' ' SER . 77.7 mt -87.81 108.47 19.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.746 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.406 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 40.2 m -97.9 117.52 32.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.64 -176.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 58.2 mtt -94.21 -161.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.636 173.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -101.64 159.57 29.04 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.517 ' HG3' HG22 ' A' ' 62' ' ' VAL . 64.8 Cg_exo -52.28 116.1 2.61 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 177.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.38 -173.67 3.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.005 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.82 71.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.917 0.389 . . . . 0.0 111.59 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.01 -6.36 48.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.55 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.72 1.16 89.14 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -77.99 125.64 29.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.105 -0.547 . . . . 0.0 110.587 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.517 HG22 ' HG3' ' A' ' 56' ' ' PRO . 40.1 t -86.52 99.73 8.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 171.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.444 ' HE3' ' CZ3' ' A' ' 65' ' ' TRP . 11.7 m95 -70.55 97.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.671 0.748 . . . . 0.0 111.264 -173.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.637 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 34.5 t -128.32 101.62 6.31 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.902 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.508 ' HA ' ' OE2' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -107.32 136.63 46.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.465 0.65 . . . . 0.0 112.289 -174.393 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.76 126.22 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.445 175.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -133.38 131.71 40.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.373 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' HG2' HG23 ' A' ' 49' ' ' THR . 48.5 mt-10 -102.59 126.49 49.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.761 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -121.84 122.38 39.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.935 0.398 . . . . 0.0 111.146 -176.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.536 HG22 ' HG2' ' A' ' 47' ' ' LYS . 62.0 t -100.84 114.62 40.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.7 176.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.85 102.26 11.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.199 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 20.5 t70 -103.25 107.54 55.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.131 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 13.4 Cg_exo -70.43 -21.35 30.5 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.266 2.644 . . . . 0.0 112.773 -177.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.22 -54.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.974 0.416 . . . . 0.0 110.417 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.1 p -79.68 -12.19 59.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.759 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 61.06 33.56 19.54 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.375 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.7 m -124.39 122.55 38.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.385 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.1 t -110.33 116.56 52.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.127 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.513 ' HB3' HD21 ' A' ' 92' ' ' ASN . 99.2 mtt180 -105.41 115.69 30.68 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.882 -178.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.21 106.26 16.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.187 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -100.66 127.15 47.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -89.63 114.42 26.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.851 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.7 t -75.87 -43.86 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.713 -175.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.508 ' OE2' ' HA ' ' A' ' 65' ' ' TRP . 38.2 mt-10 -80.01 96.07 6.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.434 0.635 . . . . 0.0 109.469 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 12.8 p -89.65 -67.92 0.81 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.345 -170.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.439 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 103.45 -104.28 2.48 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.439 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 6.3 Cg_exo -73.94 -30.3 9.29 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.69 2.26 . . . . 0.0 111.0 174.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 82.3 m-85 -70.94 148.89 47.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.228 -178.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -89.99 -44.47 9.84 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 92' ' ' ASN . 67.6 t80 -145.17 140.8 28.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.971 176.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.532 ' SD ' ' HB3' ' A' ' 112' ' ' PHE . 14.5 tpt -140.11 104.28 4.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.571 0.224 . . . . 0.0 110.744 -177.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.513 HD21 ' HB3' ' A' ' 79' ' ' ARG . 3.0 t-20 -125.16 114.21 18.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.955 0.407 . . . . 0.0 110.911 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 mt -93.63 112.67 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.775 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.2 t -98.99 115.24 39.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.841 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.439 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 43.6 m0 -96.15 111.39 23.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.787 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -109.62 119.89 40.8 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.662 0.268 . . . . 0.0 110.518 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.78 128.28 45.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.948 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.76 149.33 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.339 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.624 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 41.4 mt-10 -85.03 121.86 28.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.977 178.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.2 m -145.02 157.45 44.12 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.69 -25.56 62.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.781 0.324 . . . . 0.0 111.522 -173.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -77.15 -14.53 59.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.969 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.24 -169.26 24.32 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.9 m -80.92 111.86 17.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.805 0.336 . . . . 0.0 110.298 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 81.7 t -83.45 112.23 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.507 ' HE2' ' HB3' ' A' ' 106' ' ' MET . 42.7 ttp -107.65 122.18 46.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.031 0.443 . . . . 0.0 110.428 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -91.39 119.38 31.34 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.929 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -92.57 85.78 5.4 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 15.0 m -96.27 107.31 19.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.357 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -91.77 112.17 23.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.016 0.436 . . . . 0.0 110.416 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -98.55 99.28 10.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.322 -0.854 . . . . 0.0 108.751 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.532 ' HB3' ' SD ' ' A' ' 91' ' ' MET . 33.1 p90 -126.87 118.13 23.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.594 0.711 . . . . 0.0 111.755 -174.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.514 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -89.69 125.95 35.46 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 53.3 ttp -170.9 150.32 3.14 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.648 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 37.7 tttp -156.81 -50.05 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 123.326 0.391 . . . . 0.0 110.894 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 31.1 Cg_exo -64.5 139.66 65.55 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.069 1.846 . . . . 0.0 112.116 175.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 38.9 t70 75.73 -19.15 0.42 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.669 0.788 . . . . 0.0 111.503 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -103.53 107.42 56.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.848 0.356 . . . . 0.0 110.98 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -86.15 32.45 0.46 Allowed 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.56 2.84 . . . . 0.0 111.772 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.527 HG12 ' HD1' ' A' ' 124' ' ' TRP . 33.0 m -94.11 170.63 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.596 -173.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -125.08 35.51 4.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.129 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.3 t70 68.29 -67.78 0.19 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.135 -0.938 . . . . 0.0 111.267 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.404 ' HA ' ' HB ' ' A' ' 126' ' ' THR . . . -61.71 -22.16 65.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.876 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.527 ' HD1' HG12 ' A' ' 120' ' ' VAL . 73.1 t-105 -63.9 -41.86 97.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.357 0.598 . . . . 0.0 109.428 175.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.445 ' SD ' HG21 ' A' ' 120' ' ' VAL . 95.2 mtp -79.39 -36.65 38.83 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.911 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' ' 130' ' ' ASN . 31.5 m -53.83 -46.87 71.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.443 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 13.5 t70 -66.79 -52.19 46.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.752 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -58.79 -51.99 67.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.092 0.472 . . . . 0.0 111.275 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.538 ' HB ' HG21 ' A' ' 5' ' ' THR . 89.9 mt -66.55 -32.03 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.233 -176.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 126' ' ' THR . 18.2 t-20 -58.57 -44.15 89.64 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 44.8 mtt-85 -72.46 -46.61 54.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.231 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -57.04 -57.56 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.329 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.4 m -65.2 -36.04 82.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.139 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 134' ' ' ARG . 13.0 ttm180 -64.23 -46.69 82.71 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.048 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.9 m -62.83 -45.73 91.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.967 0.413 . . . . 0.0 110.281 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -60.02 -50.81 72.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.022 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.511 ' SD ' HD12 ' A' ' 140' ' ' ILE . 88.5 mmm -76.79 -14.03 59.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.266 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.85 -40.0 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.5 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 52.4 tp -63.04 -45.16 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.545 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.513 HG23 HD11 ' A' ' 31' ' ' LEU . 51.5 mt -64.06 -42.28 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.717 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -44.82 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 174.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -65.27 -43.17 92.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 3.0 mmp_? -61.64 -41.39 97.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.85 178.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.456 HD12 HD13 ' A' ' 11' ' ' ILE . 60.9 mt -67.39 -43.31 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.71 -42.24 98.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 110.086 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -56.69 -43.44 80.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.556 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.96 -40.84 68.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.175 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.455 ' HA ' HD22 ' A' ' 17' ' ' LEU . . . -71.17 -23.42 62.05 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -81.83 -37.63 15.87 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.447 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.9 -53.64 12.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 0.0 110.894 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -115.05 133.37 56.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.625 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -132.87 -178.77 5.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.526 -173.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 6.7 m -67.44 -20.24 65.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.892 0.377 . . . . 0.0 110.384 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . 69.95 -170.82 0.17 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.222 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 25.8 t -144.38 89.32 2.0 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.12 0.486 . . . . 0.0 110.356 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 39.7 t -103.67 105.8 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 52.2 mt -83.19 -43.75 15.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.533 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -159.1 166.87 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.113 0.482 . . . . 0.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -123.83 -30.07 3.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.616 174.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 92.3 mt -118.62 175.82 5.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.739 173.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.96 178.98 5.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.6 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' A' ' 166' ' ' HIS . 10.7 m-70 -84.5 -25.46 28.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 111.317 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -80.9 -29.46 35.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.425 0.631 . . . . 0.0 109.547 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -76.49 -49.75 15.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.183 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -118.09 101.73 8.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.552 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 162' ' ' HIS . 10.1 t-160 -64.09 -50.44 68.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -171.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.517 -0.754 . . . . 0.0 109.867 179.314 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.604 0.24 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 112' ' ' PHE . . . -116.32 122.0 43.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.732 0.301 . . . . 0.0 110.744 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -116.38 144.1 18.3 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.824 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -104.55 82.0 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 m -83.96 114.89 22.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.397 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -113.78 90.24 3.29 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.42 104.61 16.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.66 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 25.0 mt-10 -95.4 155.99 16.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.088 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 tt -158.09 140.25 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.007 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 m -96.79 113.93 25.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.53 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.532 HG22 ' H ' ' A' ' 13' ' ' ALA . 53.3 mt -98.93 129.65 48.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.84 -13.46 58.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.935 0.398 . . . . 0.0 111.375 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -67.52 150.94 97.6 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.203 178.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.31 153.14 79.2 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.758 2.305 . . . . 0.0 112.773 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 83.9 mmm -50.97 -37.22 43.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.128 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.35 -76.9 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.186 0 O-C-N 123.589 0.556 . . . . 0.0 111.673 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' H ' HD12 ' A' ' 17' ' ' LEU . 7.3 mp -51.87 -42.83 62.96 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 122.6 0.36 . . . . 0.0 111.918 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -53.48 -55.5 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 O-C-N 123.057 0.223 . . . . 0.0 111.423 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.455 ' CH2' ' HA ' ' A' ' 76' ' ' ARG . 9.9 t-105 -69.45 -47.3 64.45 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.7 m -51.68 -53.06 43.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.458 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 mtt -75.32 -48.51 22.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.719 0.295 . . . . 0.0 111.729 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -69.03 -27.23 65.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.409 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 28.7 m-80 -90.85 -9.39 46.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -176.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -96.14 111.46 23.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 171.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.586 HD11 HG22 ' A' ' 40' ' ' VAL . 25.7 pt -72.11 -9.01 12.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.691 -168.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -84.39 -3.04 58.08 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.16 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HB3' HD13 ' A' ' 31' ' ' LEU . 10.1 mptt -106.45 3.94 27.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.968 0.413 . . . . 0.0 110.327 175.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.524 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 35.5 m0 -64.53 -51.08 62.06 Favored Pre-proline 0 C--O 1.218 -0.59 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.267 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 9.5 Cg_endo -54.33 -31.88 69.39 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.855 1.703 . . . . 0.0 112.96 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.07 -53.46 4.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.522 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' A' ' 27' ' ' LYS . 11.1 mp -73.39 -55.11 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.401 . . . . 0.0 111.035 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.48 ' CD2' HD11 ' A' ' 140' ' ' ILE . 2.0 t80 -93.13 87.45 5.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -78.51 85.47 4.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.285 0.564 . . . . 0.0 110.403 -174.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -163.9 -43.81 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.389 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.487 ' HD1' ' SD ' ' A' ' 54' ' ' MET . 27.5 m-85 -73.88 141.79 46.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.845 177.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.33 -67.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.903 0.382 . . . . 0.0 111.056 -178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.57 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 17.8 m -121.74 109.38 14.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.018 0.437 . . . . 0.0 110.833 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.507 HG11 ' HB ' ' A' ' 25' ' ' ILE . 49.0 t -92.83 103.8 15.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.642 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 6.2 mm-40 -98.73 139.59 34.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.597 -172.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 25' ' ' ILE . 24.0 t -90.6 112.8 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.835 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD12 HG22 ' A' ' 49' ' ' THR . 83.7 mt -90.18 -29.39 18.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.997 0.427 . . . . 0.0 110.628 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.73 156.31 12.53 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.563 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -125.59 106.14 9.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.91 0.355 . . . . 0.0 110.5 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -107.36 157.5 17.91 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -45.46 -45.65 13.15 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.04 0.837 . . . . 0.0 112.168 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -116.87 6.33 13.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.671 -177.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -145.42 95.1 2.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.697 0.284 . . . . 0.0 111.596 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.816 HG13 ' HB3' ' A' ' 69' ' ' ARG . 3.5 p -95.95 96.29 5.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.806 0.812 . . . . 0.0 108.971 171.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.441 HG22 HD12 ' A' ' 41' ' ' LEU . 14.0 m -79.33 123.81 27.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.781 -175.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.449 ' CE1' ' HG ' ' A' ' 52' ' ' LEU . 55.1 p90 -124.81 155.91 38.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.136 0.493 . . . . 0.0 111.12 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.642 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 41.4 ttt180 -113.68 112.11 22.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.915 177.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' HG ' ' CE1' ' A' ' 50' ' ' PHE . 28.7 mt -86.99 100.54 12.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.236 0.541 . . . . 0.0 110.444 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.57 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 29.4 m -97.12 114.8 26.51 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.119 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.487 ' SD ' ' HD1' ' A' ' 35' ' ' TYR . 90.3 mmm -87.31 167.49 14.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -57.32 134.99 81.38 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.496 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.92 118.34 4.67 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 123.015 2.476 . . . . 0.0 111.634 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -57.37 149.3 20.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.311 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.35 -26.45 60.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -176.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.86 -10.03 59.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.995 0.426 . . . . 0.0 110.877 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.04 40.48 4.58 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.466 176.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -125.37 124.48 41.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.4 t -91.16 107.77 19.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.873 0.368 . . . . 0.0 110.245 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.561 ' HE3' ' HZ3' ' A' ' 65' ' ' TRP . 11.6 m95 -75.44 101.6 4.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.424 0.63 . . . . 0.0 110.7 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 m -126.0 114.86 19.02 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.199 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.561 ' HZ3' ' HE3' ' A' ' 63' ' ' TRP . 9.9 p90 -115.04 135.84 53.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.284 0.564 . . . . 0.0 110.929 177.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.8 t -89.38 134.4 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.205 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 33.5 t -138.63 139.25 38.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.94 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.407 ' HG2' HG23 ' A' ' 49' ' ' THR . 35.8 mt-10 -103.26 123.19 46.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.816 ' HB3' HG13 ' A' ' 48' ' ' VAL . 67.5 ttt180 -103.42 123.72 47.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.177 -172.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -106.84 103.05 14.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.222 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.69 107.12 18.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.689 0.281 . . . . 0.0 110.412 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 14.5 t70 -102.6 105.23 43.11 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.805 177.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 10.2 Cg_exo -71.67 -22.6 23.9 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 123.158 2.572 . . . . 0.0 112.661 -176.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.43 -49.55 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.176 0.512 . . . . 0.0 110.826 -176.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 m -88.55 -4.67 58.55 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.517 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 3.1 mpt_? 57.03 42.01 26.68 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 121.444 0.64 . . . . 0.0 110.077 -175.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 94.3 m -124.74 121.12 33.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.584 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.579 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 22.5 t -107.44 100.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.262 0.553 . . . . 0.0 109.586 176.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -92.32 111.28 22.79 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.67 -174.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.96 112.43 24.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.909 0.385 . . . . 0.0 110.831 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -103.97 128.26 51.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.248 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -89.24 109.18 20.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.2 t -63.46 -42.5 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.369 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -76.55 111.62 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.35 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.8 p -95.83 -74.86 0.54 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.019 -172.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.6 -128.79 8.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.788 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.99 -36.64 81.84 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.534 2.156 . . . . 0.0 111.557 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -87.66 92.87 9.26 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.299 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.02 -29.77 70.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.289 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.708 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 36.0 t80 -132.33 121.7 23.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.317 178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 82.4 mmm -129.94 96.4 4.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -123.6 105.3 9.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.752 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.517 HG12 ' HG3' ' A' ' 110' ' ' GLN . 9.5 mt -105.46 107.41 22.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.142 0.496 . . . . 0.0 110.384 -176.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.567 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 93.8 t -94.67 108.97 21.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.913 -178.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.579 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 20.8 m0 -90.46 105.7 18.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.646 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.1 tt0 -102.66 136.87 41.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.607 -176.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -120.11 128.7 53.7 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -124.2 126.13 45.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.764 0.316 . . . . 0.0 111.396 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -70.54 109.18 4.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.958 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 m -120.62 157.75 28.86 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.04 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 111.191 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -76.64 -36.79 57.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.421 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 162.9 -169.32 38.06 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.703 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 86.2 m -81.69 109.47 16.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.948 0.404 . . . . 0.0 110.628 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.7 t -84.66 121.1 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.492 ' HA ' ' O ' ' A' ' 96' ' ' GLU . 52.9 ttp -111.03 129.22 55.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.751 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.66 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 50.4 mtt-85 -100.85 126.85 47.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.984 175.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -98.87 83.92 3.01 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 166.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.567 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 8.9 m -88.16 92.47 9.16 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.269 -177.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.517 ' HG3' HG12 ' A' ' 93' ' ' ILE . 53.4 tt0 -96.95 101.04 12.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.031 0.443 . . . . 0.0 110.608 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.4 95.92 8.91 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 172.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 25.6 p90 -109.53 134.66 51.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.328 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.708 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -124.39 103.96 8.5 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.581 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 19.6 ptm -116.14 147.01 41.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.989 0.423 . . . . 0.0 110.662 -176.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.748 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 87.9 tttt -157.18 -54.93 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.361 -173.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 24.9 Cg_exo -63.19 115.86 3.24 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.78 1.653 . . . . 0.0 111.954 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 64.29 28.41 13.83 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.273 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.24 104.61 30.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -82.84 -3.82 11.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.712 2.274 . . . . 0.0 112.187 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.5 HG21 ' HG2' ' A' ' 125' ' ' MET . 29.1 m -79.59 146.76 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.393 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.84 44.93 1.13 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.995 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.6 t70 69.94 -68.73 0.19 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.192 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.86 -21.35 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.771 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.416 ' HB3' ' HB ' ' A' ' 120' ' ' VAL . 74.9 t-105 -64.08 -43.81 94.3 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.888 0.375 . . . . 0.0 110.183 178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.581 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 90.5 mmm -74.74 -29.89 61.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 16.4 m -53.97 -53.42 53.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.324 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.55 -33.86 67.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.44 179.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -61.06 -48.34 82.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.425 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.62 -41.55 93.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.441 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -53.26 -52.91 57.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.117 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -64.58 -47.97 76.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.246 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' A' ' 136' ' ' GLN . 8.8 t30 -59.06 -58.07 10.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.564 ' O ' ' HG2' ' A' ' 137' ' ' MET . 31.4 m -64.77 -37.67 88.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -175.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -54.49 -48.68 71.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.928 0.395 . . . . 0.0 110.36 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 25.7 m -62.86 -40.4 97.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 132' ' ' ASN . 9.9 mm100 -70.12 -36.24 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 133' ' ' SER . 27.1 mmt -63.63 -48.18 78.34 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.557 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.54 83.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.324 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 2.1 tm? -61.44 -49.66 75.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.906 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.48 HD11 ' CD2' ' A' ' 32' ' ' PHE . 70.3 mt -63.1 -47.61 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.212 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.52 ' HG3' HG12 ' A' ' 11' ' ' ILE . 62.6 ttp85 -56.13 -45.43 79.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.961 0.41 . . . . 0.0 110.121 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.495 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 35.7 t70 -58.21 -51.99 67.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.536 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 25.7 mmt85 -57.28 -48.67 78.31 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.612 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 50.3 mt -66.15 -43.33 92.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.317 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.82 -21.95 58.99 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.522 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 96.5 mt-30 -69.54 -32.86 71.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 170.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.16 -45.1 20.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.807 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.24 -26.72 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.541 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -80.42 -27.86 50.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.144 -0.55 . . . . 0.0 111.957 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -75.55 -23.68 56.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.305 0.574 . . . . 0.0 109.735 176.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -59.56 124.56 20.48 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -60.36 -46.74 88.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.718 0.294 . . . . 0.0 111.246 -171.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 26.5 p -127.99 154.0 46.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.979 176.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.78 127.86 34.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 39.8 m -64.37 -19.61 65.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 17.4 m -91.82 136.37 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.782 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 90.1 mt -93.35 114.51 26.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.84 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -83.18 101.5 11.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.042 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -73.38 140.16 46.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.579 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 96.7 mt -119.01 -178.22 3.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.802 -175.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -65.35 -54.3 30.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.812 -176.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -111.04 123.14 49.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.894 0.378 . . . . 0.0 111.014 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -107.2 114.92 29.28 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -109.25 127.06 53.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.33 -178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -96.93 144.5 26.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.42 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -60.74 -54.47 44.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.304 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 40.1 m80 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.253 -178.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 112' ' ' PHE . . . -126.37 156.83 39.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.485 -177.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.446 ' CA ' ' HB3' ' A' ' 122' ' ' ASP . . . -74.44 125.49 8.69 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.038 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.521 ' HD2' ' HA ' ' A' ' 111' ' ' ASP . 32.2 m170 -124.93 102.09 7.37 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.182 0.515 . . . . 0.0 110.335 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.457 ' OG1' ' HA ' ' A' ' 126' ' ' THR . 24.3 m -99.26 125.88 44.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.08 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.446 ' CG ' HH21 ' A' ' 107' ' ' ARG . 23.2 t0 -123.48 97.99 5.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.719 HD21 ' HB2' ' A' ' 134' ' ' ARG . 21.6 t-20 -105.17 109.05 20.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.339 -177.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.602 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 29.7 mt-10 -100.29 127.42 46.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.01 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.6 mm -121.39 116.12 48.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.141 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.3 m -80.79 103.64 10.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.016 0.436 . . . . 0.0 110.62 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.477 HG12 ' HG3' ' A' ' 141' ' ' ARG . 45.7 mt -97.12 128.97 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.68 35.56 0.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.176 0.513 . . . . 0.0 110.949 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.87 147.98 42.32 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.344 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' O ' HG23 ' A' ' 18' ' ' VAL . 52.5 Cg_exo -53.97 130.65 40.41 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 123.103 2.535 . . . . 0.0 112.46 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.413 ' HE2' ' HB3' ' A' ' 97' ' ' TYR . 51.0 ttm -55.51 -32.32 62.79 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.394 -178.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.18 -45.87 86.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.2 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.8 mp -75.36 -41.84 55.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.123 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.445 HG22 HG21 ' A' ' 144' ' ' ILE . 59.3 t -55.46 -46.18 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -65.5 -48.11 73.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.5 t -69.2 -33.91 74.07 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.185 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.6 mtt -73.62 -31.06 63.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.633 0.254 . . . . 0.0 111.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.1 p -89.92 -11.83 40.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.058 0.456 . . . . 0.0 110.709 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.06 -41.18 74.49 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.925 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.439 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 15.4 t0 -73.76 101.73 3.78 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.932 178.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.572 HD11 HG22 ' A' ' 40' ' ' VAL . 42.6 pt -75.43 -12.25 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.416 -176.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -85.64 -1.28 56.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.409 0.623 . . . . 0.0 109.863 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' HD2' ' HB3' ' A' ' 24' ' ' ASP . 49.6 mttp -101.48 -9.73 20.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.343 175.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.53 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 44.5 m0 -56.69 -49.26 94.71 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.381 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.8 Cg_endo -60.06 -14.91 30.7 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.08 1.853 . . . . 0.0 112.585 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.57 -40.53 5.33 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.1 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.534 HD23 HG23 ' A' ' 140' ' ' ILE . 10.8 mp -85.4 -48.71 8.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 111.038 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.03 111.95 20.78 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -89.02 -11.22 44.83 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -77.15 -20.17 55.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.08 0.467 . . . . 0.0 110.563 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -105.27 160.07 15.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.12 -54.91 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.515 -176.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . 68.5 m -147.31 150.95 35.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.936 0.398 . . . . 0.0 111.325 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.436 HG21 ' HB2' ' A' ' 28' ' ' TRP . 74.5 t -123.77 107.19 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.407 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -98.01 132.67 43.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.758 -175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.572 HG22 HD11 ' A' ' 25' ' ' ILE . 54.0 t -77.44 111.78 14.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.8 tp -80.12 -34.07 38.15 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.46 156.26 15.75 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.624 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -122.47 85.34 2.4 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -90.37 100.99 13.73 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.551 -171.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 65.89 -83.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.775 178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -129.94 -3.03 4.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HG2' HG22 ' A' ' 70' ' ' VAL . 97.2 mttt -88.02 127.37 35.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.321 177.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.456 HG11 HH21 ' A' ' 69' ' ' ARG . 6.1 p -108.8 104.28 16.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.819 0.819 . . . . 0.0 110.024 176.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.463 HG23 ' HG2' ' A' ' 68' ' ' GLU . 38.2 m -92.41 118.24 30.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.031 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.482 ' HB3' HD12 ' A' ' 25' ' ' ILE . 50.8 p90 -113.93 142.29 46.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.495 0.664 . . . . 0.0 111.009 -177.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -105.42 101.58 11.1 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.371 175.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.516 ' O ' ' HA ' ' A' ' 64' ' ' SER . 3.4 tt -82.65 116.06 21.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.551 -174.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.1 m -100.71 108.64 20.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.436 0.636 . . . . 0.0 110.366 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.512 ' HB3' ' HB2' ' A' ' 63' ' ' TRP . 16.4 ttt -98.94 167.76 10.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -62.57 131.85 94.23 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.719 0.295 . . . . 0.0 111.583 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.42 ' HB3' HG22 ' A' ' 62' ' ' VAL . 26.6 Cg_endo -62.96 146.28 94.75 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.936 2.424 . . . . 0.0 111.954 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -90.42 -170.63 2.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.22 -19.66 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 111.061 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.51 -25.37 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.289 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.61 -1.21 87.11 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 -170.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -73.89 109.3 7.28 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.399 -0.9 . . . . 0.0 109.53 176.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' A' ' 56' ' ' PRO . 56.0 t -74.96 120.68 24.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 65' ' ' TRP . 49.3 m0 -76.48 83.93 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.991 0.424 . . . . 0.0 110.247 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 11.3 t -121.0 110.51 16.36 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.519 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 63' ' ' TRP . 2.7 p90 -119.5 147.95 43.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.429 -175.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.15 128.02 42.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.341 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 14.7 m -134.81 138.55 44.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.788 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.463 ' HG2' HG23 ' A' ' 49' ' ' THR . 57.6 mt-10 -107.36 128.91 54.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.456 HH21 HG11 ' A' ' 48' ' ' VAL . 29.6 ttp180 -119.58 125.06 47.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.86 0.362 . . . . 0.0 111.179 -176.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.488 HG22 ' HG2' ' A' ' 47' ' ' LYS . 29.3 t -115.62 117.78 56.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 175.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB2' HG13 ' A' ' 78' ' ' VAL . . . -119.36 102.89 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.183 -175.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 3.7 p-10 -97.22 121.48 58.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.402 0.62 . . . . 0.0 109.906 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 10.0 Cg_exo -73.05 -8.53 22.32 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.107 2.538 . . . . 0.0 111.789 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.39 -56.34 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.391 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.67 -6.47 46.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.59 -177.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HB3' ' HB2' ' A' ' 97' ' ' TYR . 9.8 mpt_? 62.93 46.84 4.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.223 -176.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.5 m -131.48 123.08 27.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.134 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.595 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.2 t -108.49 112.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.101 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 74.6 mtt85 -101.08 110.7 22.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.603 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.428 ' HB2' ' HG3' ' A' ' 69' ' ' ARG . . . -111.16 100.17 8.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.771 0.32 . . . . 0.0 110.476 177.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -93.65 119.93 33.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 0.0 110.644 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -90.6 111.2 22.42 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.928 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 52.5 t -66.59 -58.78 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.52 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -82.82 94.05 7.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.451 0.643 . . . . 0.0 109.776 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.596 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 0.7 OUTLIER -82.29 -21.99 35.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.485 -174.157 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.63 -112.93 3.83 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.815 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.96 -26.31 15.44 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.942 2.428 . . . . 0.0 111.912 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 25.8 m-85 -82.11 168.67 17.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.69 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -101.48 -63.66 1.12 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.219 0.533 . . . . 0.0 109.63 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 112' ' ' PHE . 92.0 t80 -114.01 148.16 37.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.466 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 52.3 ttm -164.42 108.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.011 0.434 . . . . 0.0 111.165 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -112.28 113.25 25.37 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 174.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.54 HG23 ' HG2' ' A' ' 110' ' ' GLN . 41.7 mt -91.59 103.23 14.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.212 -177.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.9 t -98.55 113.22 32.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.05 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.595 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 19.0 m0 -92.03 100.29 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 172.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -97.31 130.21 44.51 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.413 ' HB3' ' HE2' ' A' ' 15' ' ' MET . 85.7 m-85 -109.06 109.2 20.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 -177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.2 119.13 38.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -81.77 129.88 34.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.13 0.491 . . . . 0.0 110.652 -176.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.6 m -124.55 162.74 23.39 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.29 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.41 68.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 0.0 111.754 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -97.48 2.74 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.1 -169.42 24.73 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.249 -0.976 . . . . 0.0 112.321 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -95.93 119.19 33.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.604 0.24 . . . . 0.0 110.675 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 91.9 t -80.23 103.91 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.319 0.58 . . . . 0.0 109.712 174.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.48 ' SD ' ' HD1' ' A' ' 108' ' ' TRP . 11.6 tmm? -89.06 121.04 31.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.267 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.602 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 71.6 mtp180 -106.2 123.21 47.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.582 0.229 . . . . 0.0 111.451 -177.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.48 ' HD1' ' SD ' ' A' ' 106' ' ' MET . 0.9 OUTLIER -96.0 82.59 3.53 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 169.708 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.4 m -95.19 101.62 13.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.877 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.54 ' HG2' HG23 ' A' ' 93' ' ' ILE . 55.3 mt-30 -103.1 118.05 35.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.989 0.423 . . . . 0.0 110.99 -176.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.521 ' HA ' ' HD2' ' A' ' 4' ' ' HIS . 9.4 m-20 -93.85 98.56 11.15 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.45 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 54.9 p90 -122.25 156.68 33.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.411 . . . . 0.0 110.626 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.14 121.14 14.63 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.803 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 93.9 mmm -80.33 141.46 35.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.485 ' H ' ' CD ' ' A' ' 116' ' ' PRO . 17.6 tptp -131.98 -47.18 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -177.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.485 ' CD ' ' H ' ' A' ' 115' ' ' LYS . 51.1 Cg_exo -58.02 -9.77 6.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.023 1.815 . . . . 0.0 112.99 177.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 66.6 74.14 0.35 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.546 0.688 . . . . 0.0 110.252 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 119' ' ' PRO . . . -91.37 161.32 34.99 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.28 178.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 118' ' ' ALA . 10.5 Cg_endo -55.14 -36.46 93.13 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.716 2.277 . . . . 0.0 111.47 176.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.7 m -75.67 112.98 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.621 0.724 . . . . 0.0 109.888 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 125' ' ' MET . 28.7 m-20 -80.11 165.22 22.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.444 -176.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.446 ' HB3' ' CA ' ' A' ' 3' ' ' GLY . 5.8 m-20 -56.54 -36.42 69.22 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.54 84.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -64.72 -41.89 95.65 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.88 0.372 . . . . 0.0 110.068 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 121' ' ' ASP . 82.7 mmm -65.6 -34.7 78.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.632 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.457 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 88.8 m -57.65 -44.47 85.67 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 110.127 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.1 -44.37 80.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -58.51 -53.18 61.21 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.445 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.45 -42.54 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.677 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -55.58 -51.82 65.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 131' ' ' ARG . 48.3 mtm180 -69.95 -44.34 69.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.31 -178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -62.18 -49.67 74.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.674 0.273 . . . . 0.0 110.84 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.1 m -61.58 -45.43 94.17 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.719 ' HB2' HD21 ' A' ' 7' ' ' ASN . 46.1 ttm180 -58.32 -38.35 76.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.329 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 20.4 m -70.97 -53.49 14.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -67.74 -41.34 83.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.714 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 93.8 mmm -74.16 -20.6 60.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.865 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 141' ' ' ARG . . . -71.74 -37.0 70.62 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 172.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 46.2 tp -60.88 -49.22 78.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.632 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.534 HG23 HD23 ' A' ' 31' ' ' LEU . 65.9 mt -66.03 -37.32 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.367 177.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.477 ' HG3' HG12 ' A' ' 11' ' ' ILE . 44.8 ttt-85 -51.96 -52.55 49.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.494 176.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.37 -46.41 90.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.756 0.312 . . . . 0.0 110.3 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -56.36 -49.06 75.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.104 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.445 HG21 HG22 ' A' ' 18' ' ' VAL . 31.9 mm -61.47 -46.81 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.328 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.97 -37.52 78.84 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.737 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.43 -43.2 98.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.099 0.476 . . . . 0.0 110.069 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.86 67.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.017 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.56 -33.14 68.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.395 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -70.34 -30.99 68.8 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.541 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.75 -33.23 72.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.804 0.335 . . . . 0.0 110.761 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? 59.06 74.31 0.45 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.679 -170.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -67.63 121.56 16.16 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.174 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.7 m -61.98 134.89 57.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.576 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.06 108.34 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 20.3 m -70.26 114.27 8.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.333 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.495 HG12 ' HB2' ' A' ' 158' ' ' ALA . 57.6 t -93.25 121.37 43.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.129 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.95 -59.12 4.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.495 ' HB2' HG12 ' A' ' 156' ' ' VAL . . . 60.01 23.26 12.41 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.485 172.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -80.26 123.31 27.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.5 mt -86.16 164.93 16.95 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -168.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.9 -43.65 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.505 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -83.76 1.84 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.352 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -80.5 -23.38 40.15 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 168.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -104.64 -174.82 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.088 -1.414 . . . . 0.0 108.2 168.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 51.66 77.35 0.14 Allowed 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.712 0.291 . . . . 0.0 111.153 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -115.35 141.94 47.37 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.305 0.574 . . . . 0.0 111.922 -175.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 44.0 m80 . . . . . 0 C--O 1.247 0.935 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.364 178.286 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.402 0.144 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.58 120.21 0.47 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.225 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.76 94.96 2.05 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -86.36 89.07 7.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.508 ' HG1' ' HE2' ' A' ' 112' ' ' PHE . 6.6 m -97.28 106.79 19.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.275 -175.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -109.14 103.96 13.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.963 0.411 . . . . 0.0 110.577 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.689 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 27.1 m-80 -97.84 99.02 10.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.028 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.896 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 36.1 mt-10 -93.2 123.35 36.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.037 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.1 tt -131.55 138.22 53.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.887 0.375 . . . . 0.0 110.215 173.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.5 m -94.97 109.48 21.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.047 0.451 . . . . 0.0 110.933 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.507 HG12 ' HG3' ' A' ' 141' ' ' ARG . 43.6 mt -97.82 126.3 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.016 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.97 30.87 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.445 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.14 154.18 55.78 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.087 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.587 ' HB2' HD13 ' A' ' 17' ' ' LEU . 47.0 Cg_exo -56.86 139.71 89.88 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.866 2.378 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.734 ' SD ' ' HB2' ' A' ' 99' ' ' GLU . 77.8 mtp -51.72 -47.93 63.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.036 -175.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.51 -33.99 73.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.303 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD13 ' HB2' ' A' ' 14' ' ' PRO . 10.3 mp -71.25 -41.59 69.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.2 -46.74 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.943 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.536 ' HZ2' ' HB1' ' A' ' 71' ' ' ALA . 17.2 t-105 -55.7 -62.44 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.925 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -62.12 -32.83 73.45 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -172.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.6 mmm -81.62 -41.78 20.99 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -82.47 -27.76 31.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.778 0.323 . . . . 0.0 111.474 -175.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -84.26 -8.63 58.98 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.036 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -82.08 96.61 7.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 HG22 ' A' ' 40' ' ' VAL . 32.8 pt -65.61 -20.65 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.172 -170.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.77 -11.85 61.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.114 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -100.29 -7.69 24.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.246 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.496 ' HB2' HG21 ' A' ' 38' ' ' VAL . 47.5 m0 -60.68 -43.34 91.85 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.64 -22.53 44.32 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.022 1.815 . . . . 0.0 112.882 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.86 23.24 14.96 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.936 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.539 ' HG ' HG12 ' A' ' 140' ' ' ILE . 59.7 tp -138.76 -53.76 0.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.142 0.496 . . . . 0.0 109.769 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.06 155.38 28.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.678 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -90.36 -34.1 15.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.809 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -86.37 -16.6 36.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -170.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -107.09 125.93 51.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.965 0.412 . . . . 0.0 111.354 -171.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.32 -38.64 11.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.732 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.546 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 40.6 t -140.46 144.34 36.02 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.448 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.528 HG11 ' HB ' ' A' ' 25' ' ' ILE . 68.0 t -139.2 109.51 4.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -107.49 148.49 29.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.034 0.445 . . . . 0.0 111.591 -172.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 25' ' ' ILE . 42.5 t -85.73 111.95 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.6 tp -85.82 -14.09 46.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.334 0.588 . . . . 0.0 109.948 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.9 156.24 7.56 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.297 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.608 ' HB3' HG23 ' A' ' 48' ' ' VAL . 20.4 ptt180 -150.84 122.14 7.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.331 0.586 . . . . 0.0 111.024 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -134.98 95.76 3.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.757 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t70 65.91 -80.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 O-C-N 124.013 0.821 . . . . 0.0 111.48 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -102.78 -40.25 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.656 0.741 . . . . 0.0 109.374 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -79.54 94.17 5.57 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.525 -170.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.608 HG23 ' HB3' ' A' ' 43' ' ' ARG . 3.2 p -112.9 108.17 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.859 0.838 . . . . 0.0 110.317 173.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.57 HG23 ' HG2' ' A' ' 68' ' ' GLU . 7.2 m -87.1 129.86 34.75 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.055 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -124.51 150.16 46.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.443 0.64 . . . . 0.0 111.456 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -110.43 118.17 35.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.145 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 64' ' ' SER . 47.7 mt -96.99 107.59 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.05 0.452 . . . . 0.0 110.715 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 27.3 m -109.11 125.69 52.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.517 -174.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.2 mtt -97.84 -175.07 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.024 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -69.04 149.4 97.79 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.015 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.475 ' HB3' HG22 ' A' ' 62' ' ' VAL . 18.0 Cg_endo -60.62 123.92 14.01 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.722 2.281 . . . . 0.0 111.434 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.47 163.9 19.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.846 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.01 -16.68 60.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -78.07 -2.32 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.214 0.53 . . . . 0.0 110.376 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.96 29.47 46.61 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.745 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -128.59 130.22 47.04 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.475 HG22 ' HB3' ' A' ' 56' ' ' PRO . 26.3 t -88.66 124.68 41.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.088 -178.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -87.21 102.03 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.275 0.56 . . . . 0.0 110.461 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 34.7 t -136.79 116.42 12.95 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.96 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.57 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 43.6 p90 -111.95 161.75 16.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.094 0.473 . . . . 0.0 110.659 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.8 t -104.56 138.11 30.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.868 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.1 m -144.95 158.93 43.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.57 ' HG2' HG23 ' A' ' 49' ' ' THR . 19.7 mt-10 -123.0 134.64 54.31 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.448 -175.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.522 ' HB3' HG13 ' A' ' 48' ' ' VAL . 42.8 ttt-85 -107.86 126.45 52.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.891 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.0 t -119.1 100.67 10.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 172.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.536 ' HB1' ' HZ2' ' A' ' 19' ' ' TRP . . . -98.36 105.57 17.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.726 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 11.0 t70 -80.02 111.66 23.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 6.3 Cg_exo -74.15 -19.63 19.89 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.942 2.428 . . . . 0.0 112.904 -174.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.24 -51.21 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.025 0.441 . . . . 0.0 110.555 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -84.98 -11.42 55.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.346 0.593 . . . . 0.0 110.124 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 58.04 51.21 9.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.396 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.5 m -129.84 125.18 35.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.047 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.57 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 24.6 t -104.63 108.82 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.82 0.343 . . . . 0.0 110.704 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -100.87 109.19 21.13 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.976 0.417 . . . . 0.0 110.353 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 68' ' ' GLU . . . -111.85 107.76 16.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -86.64 141.7 28.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.929 0.395 . . . . 0.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 91' ' ' MET . 23.5 ttt180 -91.73 122.38 34.23 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.4 t -83.13 -56.87 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.82 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.57 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 10.8 mm-40 -75.25 123.97 26.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.923 0.392 . . . . 0.0 110.681 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' A' ' 88' ' ' PHE . 35.1 p -76.35 -88.09 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -170.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.2 -123.6 7.67 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -174.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -72.52 -15.97 27.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 111.791 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.629 ' O ' ' HB ' ' A' ' 85' ' ' THR . 71.3 m-85 -103.78 160.19 14.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.195 -177.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -93.61 -41.95 9.46 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.482 0.658 . . . . 0.0 109.644 174.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -151.82 152.19 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.397 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.539 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 51.0 ttm -152.43 118.31 5.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.79 0.328 . . . . 0.0 110.542 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -116.33 109.13 16.96 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.551 HG12 ' HG3' ' A' ' 110' ' ' GLN . 28.4 mt -93.95 103.7 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 110.494 -176.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.496 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 40.9 t -100.07 114.97 40.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.57 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 48.1 m0 -92.75 100.5 12.98 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.686 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 34.5 tt0 -94.98 109.69 21.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.037 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -92.54 111.2 22.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.216 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -119.41 109.16 15.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.764 0.316 . . . . 0.0 110.63 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.734 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 37.0 tt0 -67.61 128.31 36.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.066 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.5 m -129.2 165.42 21.37 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.1 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.44 -30.69 30.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -96.36 2.67 52.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.8 0.333 . . . . 0.0 111.553 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.87 -170.21 21.76 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.398 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.0 m -81.87 111.04 17.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.857 0.36 . . . . 0.0 110.627 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.4 t -86.84 110.82 20.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.421 ' HE2' ' HB3' ' A' ' 106' ' ' MET . 33.7 ttp -100.67 118.2 36.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.279 0.562 . . . . 0.0 109.977 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.896 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 94.5 mtt180 -95.62 109.73 21.94 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.156 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.689 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 4.8 m95 -84.2 79.13 9.64 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.885 174.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.496 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 9.2 m -83.13 90.05 7.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.997 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.551 ' HG3' HG12 ' A' ' 93' ' ' ILE . 34.1 tt0 -91.04 99.11 12.2 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -93.38 98.85 11.49 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.659 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.508 ' HE2' ' HG1' ' A' ' 5' ' ' THR . 41.5 p90 -120.38 159.95 24.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.112 0.482 . . . . 0.0 110.885 -178.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.96 123.77 28.04 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.738 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 49.9 mtp -98.01 144.93 27.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.978 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.577 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 44.5 mmtm -145.81 -47.01 0.02 OUTLIER Pre-proline 0 C--N 1.318 -0.764 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.211 -172.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.577 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 47.1 Cg_exo -43.05 158.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.426 1.418 . . . . 0.0 111.899 166.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.63 32.42 0.2 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.612 -168.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -57.88 143.93 75.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.641 175.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 12.3 Cg_exo -71.49 6.62 1.83 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.18 2.587 . . . . 0.0 113.218 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.413 ' HB ' ' HB3' ' A' ' 124' ' ' TRP . 24.1 m -117.97 135.77 57.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.6 74.26 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.254 -173.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 62.39 -77.1 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.903 0.752 . . . . 0.0 112.047 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.455 ' O ' ' HB ' ' A' ' 126' ' ' THR . . . -64.13 -20.08 65.73 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -170.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.413 ' HB3' ' HB ' ' A' ' 120' ' ' VAL . 31.9 t-105 -61.84 -51.34 68.62 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.526 0.679 . . . . 0.0 109.737 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 66.6 mtp -70.62 -27.19 63.88 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.08 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 123' ' ' ALA . 52.8 m -52.34 -46.04 65.9 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 173.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.13 -41.82 81.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.522 ' HA ' ' HD3' ' A' ' 131' ' ' ARG . 65.6 t30 -68.89 -33.33 73.6 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.095 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.413 HD13 ' OE1' ' A' ' 110' ' ' GLN . 73.4 mt -65.48 -40.59 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.401 176.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.567 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 60.3 t30 -56.81 -40.71 76.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.268 0.556 . . . . 0.0 109.841 175.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.522 ' HD3' ' HA ' ' A' ' 128' ' ' ASN . 41.8 mtp85 -61.45 -56.85 15.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.292 177.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.0 -48.01 80.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.972 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.3 m -62.31 -46.45 88.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.186 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -57.84 -40.61 80.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.396 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 31.1 m -68.14 -51.6 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -65.46 -46.7 78.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.356 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.44 ' SD ' HD12 ' A' ' 140' ' ' ILE . 76.6 mmm -70.99 -25.43 62.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.28 -175.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.55 -43.96 75.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.79 -42.86 98.39 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.945 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.539 HG12 ' HG ' ' A' ' 31' ' ' LEU . 80.6 mt -65.86 -47.35 85.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.792 176.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.507 ' HG3' HG12 ' A' ' 11' ' ' ILE . 59.5 ttp85 -52.93 -45.39 67.62 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.184 0.302 . . . . 0.0 110.989 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -51.77 66.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.151 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 143' ' ' ARG . 13.6 ttm180 -68.92 -38.56 79.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 16.6 mm -60.22 -47.53 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.041 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -62.97 -40.55 98.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 0.0 110.071 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -64.8 -48.1 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.909 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.99 98.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.263 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.38 69.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.648 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -76.0 -45.57 15.78 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.073 175.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.9 -52.25 38.52 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.942 0.097 . . . . 0.0 110.902 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 68.35 -68.34 0.17 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -134.31 150.77 50.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.935 0.398 . . . . 0.0 111.195 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 15.6 p -118.8 -173.42 2.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.673 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -109.21 146.65 33.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.58 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 54.5 p -94.07 147.69 22.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.004 0.43 . . . . 0.0 110.885 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 33.5 t -96.31 102.78 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.603 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 20.2 tp -85.77 111.84 20.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.736 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.22 -8.72 59.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.716 -174.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.4 -53.6 55.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.079 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 95.6 mt 61.21 15.45 6.38 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.869 173.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -61.31 -46.81 88.77 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -88.79 104.66 17.12 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.551 172.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -79.23 -15.08 58.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.352 -168.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -79.03 0.78 26.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.931 0.396 . . . . 0.0 111.317 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -82.38 -18.66 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 170.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -110.49 137.94 47.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.408 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 68.7 m80 . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.3 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tmm? . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.894 0.378 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' A' ' 112' ' ' PHE . . . -138.78 105.13 5.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 175.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.71 151.69 16.94 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.357 -176.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -109.49 90.57 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 126' ' ' THR . 27.1 m -81.29 116.51 21.19 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.777 -177.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -101.82 129.12 47.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.086 0.47 . . . . 0.0 110.819 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -123.28 97.05 5.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.807 170.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.855 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 40.7 mt-10 -91.51 113.24 25.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -178.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.4 tt -120.62 125.95 74.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.185 0.517 . . . . 0.0 110.341 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 90.9 m -85.48 117.98 24.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.757 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.436 HG22 ' H ' ' A' ' 13' ' ' ALA . 44.7 mt -102.69 131.69 50.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.22 18.65 2.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.036 0.446 . . . . 0.0 111.242 -174.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.436 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -103.85 146.0 31.7 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.881 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.9 147.08 94.11 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.92 2.414 . . . . 0.0 112.197 177.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.487 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 84.8 mtp -64.63 -25.77 68.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.558 -174.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -51.37 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.408 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.518 ' HG ' ' HA ' ' A' ' 148' ' ' ALA . 2.8 tm? -67.35 -46.19 74.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.764 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.4 HG22 HG21 ' A' ' 144' ' ' ILE . 63.4 t -57.28 -45.65 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.534 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -66.56 -47.37 73.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.915 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -70.78 -27.58 64.02 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.229 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 tpt -75.28 -36.12 61.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.99 0.424 . . . . 0.0 110.627 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.5 p -82.49 -28.69 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -78.02 -28.69 49.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.368 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.523 ' OD2' ' HG3' ' A' ' 27' ' ' LYS . 15.7 t70 -84.88 84.13 7.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.577 HD11 HG22 ' A' ' 40' ' ' VAL . 17.0 pt -71.97 -8.16 10.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.258 -170.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.88 -6.46 54.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.045 0.45 . . . . 0.0 110.647 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.523 ' HG3' ' OD2' ' A' ' 24' ' ' ASP . 63.9 mttp -96.64 -9.62 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.562 ' HB2' HG21 ' A' ' 38' ' ' VAL . 40.0 m0 -57.82 -45.92 99.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.4 Cg_endo -59.87 -10.03 11.17 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.112 1.875 . . . . 0.0 113.427 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.07 -8.33 41.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.35 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.31 -36.53 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.691 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.81 132.66 43.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.948 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -83.66 -25.31 30.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.911 -175.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.43 -30.27 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -103.37 118.4 36.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.743 0.306 . . . . 0.0 110.832 -173.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.78 -28.2 50.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.265 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.409 ' HB3' ' HB ' ' A' ' 53' ' ' THR . 20.1 t -153.98 149.01 26.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.486 177.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 28' ' ' TRP . 94.8 t -124.75 99.87 6.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -100.12 117.68 34.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.499 -171.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.577 HG22 HD11 ' A' ' 25' ' ' ILE . 23.7 t -68.07 115.8 6.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.676 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.0 tp -79.43 -40.37 30.12 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.62 156.05 27.44 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.858 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -123.13 106.08 10.47 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 20.3 t70 -89.11 161.52 16.47 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 171.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -46.66 -42.9 17.12 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -127.42 7.69 6.43 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.516 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.771 ' HG2' HG22 ' A' ' 70' ' ' VAL . 59.8 mttp -132.95 110.47 10.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 110.966 -176.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.476 HG11 HH21 ' A' ' 69' ' ' ARG . 7.4 p -102.18 119.78 50.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.478 0.656 . . . . 0.0 110.54 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.4 m -100.3 120.28 39.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.007 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.41 ' HB3' HD12 ' A' ' 25' ' ' ILE . 33.1 p90 -126.07 157.32 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.296 0.57 . . . . 0.0 111.758 -177.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.625 ' HG2' ' HB2' ' A' ' 64' ' ' SER . 61.7 ttt180 -112.04 113.4 25.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.174 177.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.754 ' O ' ' HA ' ' A' ' 64' ' ' SER . 96.3 mt -81.24 104.9 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 95.5 m -101.51 128.61 47.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.42 -174.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.406 ' HB2' ' HB2' ' A' ' 63' ' ' TRP . 38.8 mtt -108.18 -171.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.513 . . . . 0.0 110.96 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -77.77 121.34 84.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.652 176.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.525 ' HA ' ' O ' ' A' ' 61' ' ' LYS . 74.4 Cg_exo -50.52 141.22 34.04 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.032 2.488 . . . . 0.0 112.763 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -89.54 -173.34 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.044 0.449 . . . . 0.0 111.544 -173.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.74 -32.78 72.04 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.346 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -73.98 -18.42 60.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 110.621 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.96 16.76 34.63 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.807 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 37.3 mtmm -87.61 142.36 27.9 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.823 0.312 . . . . 0.0 110.484 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.18 101.89 13.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 175.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.406 ' HB2' ' HB2' ' A' ' 54' ' ' MET . 11.3 m0 -70.1 93.08 0.78 Allowed 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.297 0.57 . . . . 0.0 110.099 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.754 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 9.1 p -140.58 114.5 9.0 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.605 -175.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 4.3 p90 -113.08 153.41 28.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.216 0.532 . . . . 0.0 111.2 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.07 129.79 43.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.847 -176.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.1 m -134.94 133.42 39.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.149 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -102.05 128.53 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.803 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.476 HH21 HG11 ' A' ' 48' ' ' VAL . 58.0 ttp85 -122.03 120.29 33.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.962 0.41 . . . . 0.0 111.371 -174.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.771 HG22 ' HG2' ' A' ' 47' ' ' LYS . 29.7 t -104.74 127.1 59.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.566 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.79 104.85 14.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.715 0.293 . . . . 0.0 110.833 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -97.29 108.57 45.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.995 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.43 -15.4 19.83 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.957 2.438 . . . . 0.0 112.938 -176.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.5 t -77.7 -50.35 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.359 0.599 . . . . 0.0 109.959 -177.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.4 p -86.32 -6.77 58.88 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.859 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? 58.99 29.81 19.46 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.035 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.8 m -115.0 115.63 27.17 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.14 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.579 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 53.3 t -92.91 113.8 28.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.23 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -106.72 113.76 27.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.329 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.49 117.29 28.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.715 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -99.93 128.13 46.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.146 0.498 . . . . 0.0 110.246 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 -93.77 100.46 12.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.851 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.6 -45.44 74.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.239 0.543 . . . . 0.0 110.161 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -93.04 104.9 17.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.059 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.651 HG21 ' HB2' ' A' ' 88' ' ' PHE . 11.5 m -129.96 148.55 51.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.443 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.5 -102.52 0.87 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.256 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.51 -6.23 17.97 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.024 2.482 . . . . 0.0 113.644 -174.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.651 ' HB2' HG21 ' A' ' 85' ' ' THR . 72.4 m-85 -98.27 160.32 14.37 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -85.61 -46.11 11.1 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -154.99 144.91 21.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.675 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 85.2 mtp -132.72 123.68 26.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 110.701 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.762 ' HB3' ' HB3' ' A' ' 111' ' ' ASP . 40.6 t30 -108.79 115.73 30.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.716 178.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 43.7 mt -103.6 112.13 35.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.87 0.367 . . . . 0.0 110.667 -175.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 96' ' ' GLU . 77.1 t -115.44 118.93 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 -177.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.579 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 47.1 m0 -107.22 107.67 18.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 43.5 mt-10 -105.96 121.09 43.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.883 0.373 . . . . 0.0 110.923 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -100.43 116.96 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.515 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.64 130.49 54.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.926 0.393 . . . . 0.0 111.23 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.487 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 43.2 mt-10 -73.01 115.55 12.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.492 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.8 m -123.69 156.75 35.35 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.17 -7.59 53.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.922 0.391 . . . . 0.0 111.864 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.4 -4.9 14.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.258 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.7 -169.39 29.88 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.493 -0.861 . . . . 0.0 112.56 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.2 m -97.07 112.99 24.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 90.5 t -89.68 112.84 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.406 ' HE2' ' HB3' ' A' ' 106' ' ' MET . 44.1 ttp -97.43 120.43 37.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.208 0.528 . . . . 0.0 110.567 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.855 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 74.2 mtt180 -93.05 104.97 17.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.108 178.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -85.07 87.44 7.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.733 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 5' ' ' THR . 26.4 m -97.37 105.34 17.47 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.614 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -102.11 109.6 21.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.267 0.556 . . . . 0.0 110.286 177.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.762 ' HB3' ' HB3' ' A' ' 92' ' ' ASN . 11.6 t70 -89.23 112.82 23.95 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.04 177.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.591 ' HD2' ' HG3' ' A' ' 114' ' ' MET . 45.7 p90 -113.61 129.18 56.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.114 0.483 . . . . 0.0 111.321 -174.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -111.22 108.48 18.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.435 173.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.591 ' HG3' ' HD2' ' A' ' 112' ' ' PHE . 64.1 mtp -106.46 159.58 16.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.162 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.574 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 86.8 tttt -169.31 -57.79 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.431 0 CA-C-O 119.049 -0.5 . . . . 0.0 112.216 -175.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 115' ' ' LYS . 67.0 Cg_exo -39.29 -76.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 123.33 2.687 . . . . 0.0 115.084 -170.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -153.12 68.55 0.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.198 0.523 . . . . 0.0 109.606 -174.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -107.01 108.37 61.91 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.817 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.09 -5.88 15.43 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.7 2.266 . . . . 0.0 111.306 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.46 HG12 ' HD1' ' A' ' 124' ' ' TRP . 27.3 m -87.46 139.84 16.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.259 177.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.53 160.35 19.0 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.75 -35.94 57.06 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.33 93.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.628 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . 0.46 ' HD1' HG12 ' A' ' 120' ' ' VAL . 43.0 t-105 -74.27 -35.33 63.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.987 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.545 ' HG3' ' SD ' ' A' ' 114' ' ' MET . 84.1 mmm -65.47 -54.37 29.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.629 176.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 5' ' ' THR . 88.6 m -57.15 -37.26 71.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.117 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.27 -53.94 45.1 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.809 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -65.91 -43.19 88.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.181 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.563 ' HB ' HG21 ' A' ' 5' ' ' THR . 75.8 mt -59.78 -52.09 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.638 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.66 -38.34 84.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.026 0.441 . . . . 0.0 110.722 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -66.5 -54.54 22.75 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.342 0.591 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -68.91 -44.38 73.25 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.186 -176.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.8 m -58.97 -39.95 83.29 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.128 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.27 -49.02 79.26 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.145 176.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 22.2 m -66.25 -44.77 82.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.307 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -67.45 -43.89 79.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.952 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.595 ' SD ' HD12 ' A' ' 140' ' ' ILE . 92.6 mmm -78.98 -13.57 59.71 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.038 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.86 -44.51 76.95 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.539 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 63.0 tp -55.7 -48.83 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.786 174.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.595 HD12 ' SD ' ' A' ' 137' ' ' MET . 55.2 mt -68.18 -37.56 78.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.334 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -53.59 -51.93 61.42 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.699 0.285 . . . . 0.0 110.892 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.37 -22.81 64.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.404 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 139' ' ' LEU . 12.2 mmt180 -72.65 -43.13 63.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 140' ' ' ILE . 40.9 mm -60.98 -53.09 53.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.524 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -66.8 -24.86 66.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 150' ' ' GLU . 63.3 tt0 -70.47 -45.76 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.39 76.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.669 178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.518 ' HA ' ' HG ' ' A' ' 17' ' ' LEU . . . -66.01 -38.11 87.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -72.74 -27.25 69.5 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.567 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 146' ' ' GLN . 4.3 tp10 -75.61 -46.55 31.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.359 0.6 . . . . 0.0 109.627 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.401 HH11 HD23 ' A' ' 17' ' ' LEU . 39.8 ttt-85 -111.7 91.02 3.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.482 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -102.43 114.52 28.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 23.6 m -68.65 92.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.218 0.532 . . . . 0.0 111.305 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -86.21 -19.88 29.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.331 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 14.3 p -79.29 94.14 5.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.918 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.67 143.28 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.178 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 85.0 mt -110.4 -44.56 3.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -89.38 83.08 6.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.12 0.486 . . . . 0.0 111.086 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.94 99.25 12.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 174.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 95.4 mt -126.54 163.08 24.19 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.516 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.87 -33.55 70.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.433 0.635 . . . . 0.0 109.332 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -104.14 101.17 10.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.443 -0.799 . . . . 0.0 108.931 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -70.75 -34.95 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 0.0 110.837 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -112.66 120.3 41.07 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -84.0 46.88 1.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.168 -170.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -132.64 8.98 4.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.598 0.713 . . . . 0.0 109.36 172.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 55.0 m170 . . . . . 0 C--O 1.244 0.786 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.093 176.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptp . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.69 129.76 44.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.833 0.349 . . . . 0.0 110.139 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.49 106.53 3.26 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.371 -176.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -106.52 90.35 3.31 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 HG23 ' A' ' 126' ' ' THR . 4.6 m -104.49 104.26 14.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.837 0.351 . . . . 0.0 110.962 -175.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 109' ' ' THR . 33.1 t70 -106.46 102.61 11.99 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.107 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -108.13 111.18 23.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.226 0.536 . . . . 0.0 111.058 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.678 ' HG2' ' HD2' ' A' ' 107' ' ' ARG . 15.9 mt-10 -101.03 127.02 47.73 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.706 -175.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.417 HG21 ' HB3' ' A' ' 137' ' ' MET . 12.5 tt -131.28 125.84 57.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.414 0.626 . . . . 0.0 110.752 174.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 6.0 m -82.25 121.59 26.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.688 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.508 HG23 ' HG3' ' A' ' 141' ' ' ARG . 56.8 mt -104.08 127.4 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.416 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.53 70.28 10.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.232 0.539 . . . . 0.0 110.543 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.89 152.92 24.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.228 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.482 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.2 Cg_endo -64.19 141.24 75.06 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.819 2.346 . . . . 0.0 112.416 178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 86.5 mtp -59.76 -26.48 65.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.139 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -46.29 -64.4 0.76 Allowed 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.896 0.747 . . . . 0.0 111.338 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.531 ' HA ' HG22 ' A' ' 20' ' ' THR . 29.9 tp -76.86 -34.76 57.8 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.863 -174.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG22 HG21 ' A' ' 144' ' ' ILE . 66.2 t -54.95 -55.47 15.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.742 0.306 . . . . 0.0 110.615 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.3 t-105 -64.66 -47.99 76.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.001 -176.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 17' ' ' LEU . 4.0 t -70.3 -24.48 63.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.864 -172.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.7 ttm -87.68 -41.57 13.27 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.275 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.6 p -67.48 -29.23 68.62 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.307 0.575 . . . . 0.0 110.62 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -78.96 -22.63 45.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.614 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.43 89.8 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.552 0.691 . . . . 0.0 109.457 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.655 ' HB ' HG11 ' A' ' 38' ' ' VAL . 24.7 pt -73.24 -16.08 17.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.303 -172.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.55 -17.78 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.61 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -114.95 13.86 17.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.039 0.447 . . . . 0.0 110.901 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 22.4 m0 -57.57 -48.1 97.83 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 33.7 Cg_endo -64.29 -1.07 3.34 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.192 1.928 . . . . 0.0 113.303 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -92.98 -24.25 23.18 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.668 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.28 -36.08 5.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.033 0.444 . . . . 0.0 110.632 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.626 ' HE1' ' HB3' ' A' ' 136' ' ' GLN . 3.8 t80 -106.9 130.07 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.162 -175.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 p -92.08 -1.21 57.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -170.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -90.34 -29.02 18.34 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -172.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -104.24 137.51 42.05 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.861 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.2 -44.76 11.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.379 -178.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -141.4 132.1 25.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.756 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.655 HG11 ' HB ' ' A' ' 25' ' ' ILE . 90.5 t -112.29 107.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 173.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -116.1 133.34 56.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.95 0.405 . . . . 0.0 111.695 -170.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.587 HG22 HD11 ' A' ' 25' ' ' ILE . 21.3 t -84.34 115.23 26.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 51' ' ' ARG . 77.7 mt -89.65 -38.05 14.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.002 0.429 . . . . 0.0 110.429 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.22 165.23 38.46 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -142.38 170.87 14.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 117.758 0.779 . . . . 0.0 110.718 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.76 ' HB2' ' HB2' ' A' ' 47' ' ' LYS . 15.0 m-20 -130.64 179.21 6.08 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 170.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.25 -34.58 68.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.754 0.311 . . . . 0.0 111.133 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -124.46 11.84 8.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.199 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.76 ' HB2' ' HB2' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -125.25 150.64 46.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.779 0.323 . . . . 0.0 111.269 -174.106 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.5 p -132.88 112.56 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.598 167.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.536 HG23 ' HG2' ' A' ' 68' ' ' GLU . 21.6 m -98.0 105.3 17.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.824 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -121.74 160.98 23.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.094 0.473 . . . . 0.0 111.39 -174.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.536 ' HB2' HD11 ' A' ' 41' ' ' LEU . 47.3 ttp180 -106.88 121.28 44.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.563 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.516 HD21 ' HZ3' ' A' ' 28' ' ' TRP . 27.4 mt -84.69 96.83 9.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.996 176.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.9 m -87.35 96.5 10.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.433 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.5 ttt -81.82 164.31 21.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.674 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -53.1 128.71 48.69 Favored Pre-proline 0 N--CA 1.463 0.205 0 CA-C-O 120.931 0.396 . . . . 0.0 111.215 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.83 ' HB3' HG22 ' A' ' 62' ' ' VAL . 36.2 Cg_endo -65.43 134.24 37.86 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.989 2.459 . . . . 0.0 112.746 -177.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.17 165.67 23.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.578 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.39 -24.21 67.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.961 0.41 . . . . 0.0 110.72 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.02 -24.04 65.87 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.113 173.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.88 63.23 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -172.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -75.35 108.83 8.4 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.952 0.406 . . . . 0.0 110.164 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.83 HG22 ' HB3' ' A' ' 56' ' ' PRO . 15.4 t -90.75 110.62 22.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -74.55 96.26 2.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.308 0.575 . . . . 0.0 110.471 -174.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 6.6 m -119.51 111.73 18.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.703 -177.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 48.0 p90 -124.76 149.84 46.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.5 t -89.97 132.7 33.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.763 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -138.84 142.21 38.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.536 ' HG2' HG23 ' A' ' 49' ' ' THR . 42.3 mt-10 -107.84 131.7 54.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.805 0.336 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HD2' HG12 ' A' ' 78' ' ' VAL . 47.9 ttp180 -121.34 136.94 54.9 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.455 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 1.9 m -110.66 137.63 42.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.421 174.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.78 96.49 5.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.959 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.26 107.92 49.99 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.402 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.5 -21.33 46.58 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.889 2.393 . . . . 0.0 112.387 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.06 -55.22 20.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.7 p -89.52 -3.33 58.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.174 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 76' ' ' ARG . 64.6 mtt85 59.05 33.44 22.95 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.428 0.632 . . . . 0.0 110.043 -176.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.475 HG23 HG13 ' A' ' 94' ' ' VAL . 98.3 m -113.65 115.39 27.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.963 -177.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.486 HG12 ' HD2' ' A' ' 69' ' ' ARG . 23.7 t -111.16 94.21 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.284 175.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -108.26 138.39 44.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.025 0.44 . . . . 0.0 111.42 -173.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . . . -114.7 121.56 43.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.289 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -95.04 117.12 29.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.553 0.692 . . . . 0.0 110.31 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.632 ' HB3' ' HB2' ' A' ' 91' ' ' MET . 75.3 ttt180 -90.67 95.88 10.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.576 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.56 -46.22 49.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.55 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 32.4 mt-10 -86.66 102.75 14.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.738 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 88' ' ' PHE . 4.0 m -141.08 139.08 33.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 178.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.36 -72.9 1.24 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.986 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.437 ' HG2' ' CD1' ' A' ' 88' ' ' PHE . 58.0 Cg_endo -73.14 -4.13 14.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.636 2.224 . . . . 0.0 113.62 -176.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.685 ' HB2' HG21 ' A' ' 85' ' ' THR . 73.3 m-85 -120.55 155.02 34.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -84.4 -47.38 10.73 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 91.6 t80 -149.73 137.56 20.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.922 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.632 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 80.2 mtp -129.47 115.51 17.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.726 0.298 . . . . 0.0 110.628 177.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 30.6 t30 -110.09 106.35 15.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.013 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.534 HG23 ' HG2' ' A' ' 110' ' ' GLN . 53.5 mt -98.46 101.8 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.003 0.43 . . . . 0.0 110.295 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.594 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 85.0 t -93.75 116.81 35.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.198 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -95.03 94.65 8.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -97.26 130.55 44.45 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -103.71 118.3 36.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.052 0.453 . . . . 0.0 110.376 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.14 147.84 28.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.362 -176.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -77.99 135.84 37.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.331 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 103' ' ' GLY . 10.5 m -146.68 156.28 43.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 173.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.32 -11.54 57.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.347 -175.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -115.08 10.12 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.431 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.469 ' O ' ' HB ' ' A' ' 100' ' ' THR . . . 150.27 -169.37 30.26 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.001 -1.095 . . . . 0.0 112.834 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 m -107.71 120.04 41.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 70.0 t -86.09 116.2 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.965 0.412 . . . . 0.0 110.427 179.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 45.8 ttp -98.43 115.41 28.44 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.678 ' HD2' ' HG2' ' A' ' 8' ' ' GLU . 25.4 mtm180 -108.68 112.75 25.22 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.282 -173.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -89.46 89.91 8.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.009 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.594 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 4.0 m -87.99 92.85 9.29 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.644 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.534 ' HG2' HG23 ' A' ' 93' ' ' ILE . 54.5 mt-30 -90.1 98.22 11.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -98.53 104.31 16.33 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.003 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -127.27 148.05 50.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.517 0.675 . . . . 0.0 111.826 -173.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.92 127.05 53.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.991 177.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.439 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 68.4 mtp -109.38 141.17 42.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.097 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.502 ' H ' ' HD2' ' A' ' 116' ' ' PRO . 14.0 mmmm -150.86 -48.87 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.53 -173.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.502 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 2.3 Cg_endo -43.89 164.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 122.86 2.373 . . . . 0.0 113.061 168.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -84.07 35.7 0.54 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.741 0.781 . . . . 0.0 110.775 -170.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.84 137.63 83.14 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.23 177.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.26 -43.23 36.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.107 2.538 . . . . 0.0 113.006 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.0 m -87.36 141.55 14.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.148 0.499 . . . . 0.0 110.784 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -89.27 175.8 7.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.831 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.46 -30.88 71.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.086 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.16 97.23 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.812 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -62.05 -42.19 98.92 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.198 0.523 . . . . 0.0 110.18 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.452 ' O ' HG13 ' A' ' 129' ' ' ILE . 86.8 mmm -65.71 -50.34 65.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.35 -177.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.498 HG23 HG23 ' A' ' 5' ' ' THR . 93.8 m -54.34 -41.68 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.73 -45.73 77.75 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.694 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -65.62 -39.84 91.91 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 125' ' ' MET . 85.2 mt -63.73 -39.57 85.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.5 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.366 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -58.68 -45.85 88.52 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.186 0.517 . . . . 0.0 110.57 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -67.37 -45.87 75.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.37 0.605 . . . . 0.0 110.554 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.14 -44.81 87.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.372 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 137' ' ' MET . 55.0 p -62.47 -52.68 62.54 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.725 -178.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -49.66 -44.41 47.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.666 0.269 . . . . 0.0 111.264 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 21.8 m -68.39 -55.05 13.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.625 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.626 ' HB3' ' HE1' ' A' ' 32' ' ' PHE . 82.7 mm-40 -70.56 -43.55 69.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.474 -174.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -63.94 -33.58 76.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.635 -178.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.39 -45.25 91.95 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.702 0.287 . . . . 0.0 110.273 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.75 -48.99 79.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.642 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.439 ' O ' HG12 ' A' ' 144' ' ' ILE . 74.8 mt -65.66 -45.13 93.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.98 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.508 ' HG3' HG23 ' A' ' 11' ' ' ILE . 52.2 ttt180 -53.93 -48.52 70.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.421 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -56.26 -38.55 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.975 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 143' ' ' ARG . 8.9 mmt180 -69.41 -42.33 75.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.126 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.484 HG21 HG22 ' A' ' 18' ' ' VAL . 47.1 mm -59.34 -49.37 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.06 0.457 . . . . 0.0 110.477 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.94 -41.59 97.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.792 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -60.4 -50.81 72.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.419 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.99 88.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.39 94.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.466 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -75.28 -19.22 79.74 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.404 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -88.78 -15.92 33.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.71 0.291 . . . . 0.0 110.848 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -74.79 -66.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 60.53 -88.13 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.801 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 24.5 m -137.73 143.19 41.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.095 -175.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.05 125.44 24.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 5.1 p -65.02 151.15 46.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.726 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.1 p -120.62 143.99 30.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.09 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 90.7 mt -107.48 150.77 26.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.858 0.361 . . . . 0.0 110.775 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -89.49 -177.37 5.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.672 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.63 166.86 20.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.157 0.503 . . . . 0.0 111.615 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 24.2 tp -150.23 151.75 33.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.445 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.28 152.95 44.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.439 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -81.98 -46.88 13.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -105.79 111.12 23.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.842 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -74.78 82.4 2.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.376 0.608 . . . . 0.0 111.336 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -163.7 66.72 0.17 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.788 -1.097 . . . . 0.0 108.062 171.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -168.83 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.299 -173.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.382 179.907 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.119 0.485 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.63 118.27 18.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.709 176.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.26 138.01 15.53 Favored Glycine 0 N--CA 1.442 -0.931 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -120.23 87.76 2.81 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.2 m -83.72 99.02 9.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.969 0.414 . . . . 0.0 110.185 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -94.97 95.5 8.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.445 -177.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -97.04 98.47 10.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.99 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.813 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 47.4 mt-10 -89.23 117.32 28.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.74 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 tt -125.27 132.22 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.067 0.461 . . . . 0.0 110.089 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.4 HG21 ' HG3' ' A' ' 102' ' ' GLU . 16.6 m -93.68 136.81 33.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.795 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 13' ' ' ALA . 55.7 mt -119.24 134.2 63.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.14 18.52 1.36 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.002 0.429 . . . . 0.0 112.0 -174.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 11' ' ' ILE . . . -104.38 142.43 24.6 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.502 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.9 Cg_exo -58.96 141.76 98.59 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.779 2.319 . . . . 0.0 111.918 177.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.2 mtp -56.4 -28.53 59.61 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -173.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HG3' ' H ' ' A' ' 17' ' ' LEU . 8.6 pt-20 -55.34 -61.32 2.41 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 122.988 0.18 . . . . 0.0 111.416 -178.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.601 ' HA ' ' HB ' ' A' ' 20' ' ' THR . 35.8 tp -66.26 -35.8 81.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.651 0.205 . . . . 0.0 110.994 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 14' ' ' PRO . 96.8 t -53.02 -59.08 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 121.374 -0.13 . . . . 0.0 110.965 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -63.05 -40.25 97.16 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.601 ' HB ' ' HA ' ' A' ' 17' ' ' LEU . 11.5 m -52.29 -34.36 46.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.945 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.4 mmm -89.8 -45.08 9.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.519 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.1 p -77.57 -21.54 52.32 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -64.68 -42.73 95.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 110.599 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.575 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 66.0 t0 -77.99 109.33 11.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.059 -179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.567 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 26.4 pt -74.74 -12.98 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.558 -175.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.68 -6.8 59.57 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.15 0.5 . . . . 0.0 110.309 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HD2' ' HB3' ' A' ' 24' ' ' ASP . 48.1 mttp -96.46 -11.82 25.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.554 176.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.572 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 43.2 m0 -57.58 -45.24 99.87 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -176.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 14.9 Cg_endo -57.75 -18.51 34.15 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.171 1.914 . . . . 0.0 113.082 178.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.15 -21.3 25.54 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.016 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 mp -95.46 -52.47 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.687 0.28 . . . . 0.0 110.934 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 34' ' ' GLU . 24.4 t80 -96.42 107.66 20.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.1 m -84.91 55.37 3.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.903 -172.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 33.3 tt0 -148.51 -11.99 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -102.17 126.37 49.12 Favored 'General case' 0 CA--C 1.52 -0.207 0 O-C-N 121.666 -0.646 . . . . 0.0 110.64 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.63 -44.87 18.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.704 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.562 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 49.7 m -130.75 131.57 44.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.304 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.0 t -111.98 99.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 170.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.621 ' HB2' ' HB3' ' A' ' 51' ' ' ARG . 34.5 mt-10 -94.25 110.91 22.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.915 -171.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 t -76.48 99.47 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.386 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -77.02 -43.35 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.33 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.81 -164.0 37.6 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.837 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.572 ' HB3' HG23 ' A' ' 48' ' ' VAL . 42.2 ptt85 -166.64 161.52 15.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.836 0.35 . . . . 0.0 110.636 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -130.98 90.9 2.96 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 61.01 -83.94 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.212 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -102.48 -25.18 13.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.028 0.442 . . . . 0.0 111.074 -175.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -96.06 112.17 23.98 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.423 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.572 HG23 ' HB3' ' A' ' 43' ' ' ARG . 11.1 p -99.48 145.4 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.276 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.5 m -122.33 119.48 31.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 26.8 p90 -133.62 166.6 22.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.641 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.621 ' HB3' ' HB2' ' A' ' 39' ' ' GLU . 50.7 ttt180 -119.81 117.98 29.61 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.639 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 64' ' ' SER . 94.9 mt -93.06 117.88 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.218 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 91.4 m -121.24 128.41 52.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.566 -175.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 46.7 mtt -105.46 -169.77 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.773 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -58.95 157.18 21.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.911 171.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' A' ' 62' ' ' VAL . 56.4 Cg_endo -71.64 159.83 49.93 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.306 2.004 . . . . 0.0 112.234 175.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -83.23 -171.79 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.72 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.56 -34.77 58.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.029 0.442 . . . . 0.0 110.681 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.17 -21.2 27.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.39 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.27 -3.48 6.74 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.361 -0.923 . . . . 0.0 113.659 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -63.03 110.26 1.75 Allowed 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 117.561 0.68 . . . . 0.0 110.43 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.55 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 7.1 p -80.71 118.89 29.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 173.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -76.16 89.62 3.08 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.764 0.793 . . . . 0.0 110.932 -171.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 25.3 t -123.8 139.64 53.78 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.061 -1.427 . . . . 0.0 109.661 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.492 ' HB2' ' HB2' ' A' ' 84' ' ' GLU . 14.2 p90 -148.46 133.27 17.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.233 0.54 . . . . 0.0 111.636 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.3 t -73.21 126.4 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.277 175.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.539 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 15.0 m -128.07 143.15 51.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.217 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -113.58 128.06 56.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.266 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.451 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 48.0 ttp180 -117.45 118.14 31.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.824 0.345 . . . . 0.0 111.523 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.78 109.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.44 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.17 110.38 20.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.672 0.272 . . . . 0.0 111.248 -176.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -103.97 108.19 59.16 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.854 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.78 -35.89 34.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 123.036 2.49 . . . . 0.0 112.974 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 t -72.88 -40.66 60.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.159 0.504 . . . . 0.0 110.796 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.1 m -82.38 -12.75 57.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.168 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 59.97 33.08 21.39 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.56 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.517 HG23 ' HG2' ' A' ' 96' ' ' GLU . 29.8 m -129.76 124.77 34.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.586 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.546 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 47.8 t -116.96 124.53 73.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -109.06 112.9 25.33 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.04 104.34 11.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.985 0.421 . . . . 0.0 110.918 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -102.32 142.14 34.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.399 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -106.1 105.21 15.14 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.237 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.8 t -57.1 -43.81 82.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.36 0.6 . . . . 0.0 109.587 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 65' ' ' TRP . 39.2 mt-10 -91.64 97.39 11.0 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 170.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.757 HG22 ' HB2' ' A' ' 88' ' ' PHE . 4.4 m -86.8 -25.96 24.34 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -174.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.443 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 97.6 -127.59 9.27 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.102 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.443 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 3.0 Cg_exo -76.78 -8.93 18.22 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.197 2.598 . . . . 0.0 112.263 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.757 ' HB2' HG22 ' A' ' 85' ' ' THR . 46.1 m-85 -83.91 172.33 12.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.765 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' A' ' 113' ' ' ALA . 58.0 tt0 -92.54 -43.34 9.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.163 0.506 . . . . 0.0 109.988 178.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.63 ' HB3' ' HB3' ' A' ' 113' ' ' ALA . 39.0 t80 -159.43 148.32 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.58 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.459 ' HB3' HG23 ' A' ' 85' ' ' THR . 53.0 ttm -157.1 127.08 6.29 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.015 0.436 . . . . 0.0 111.5 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -132.92 117.56 17.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.489 175.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.553 HG12 ' HG3' ' A' ' 110' ' ' GLN . 19.6 mt -95.05 118.48 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.575 -175.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.542 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 43.1 t -103.63 118.89 51.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.747 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.546 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 40.5 m0 -99.17 101.64 13.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.517 ' HG2' HG23 ' A' ' 77' ' ' THR . 41.1 mt-10 -103.28 112.68 25.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.966 0.413 . . . . 0.0 110.47 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -90.45 118.68 30.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.435 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.423 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -108.17 108.98 20.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.39 104.54 2.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.5 m -122.11 162.05 21.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.906 -175.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.48 -21.61 63.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.235 0.541 . . . . 0.0 110.331 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.4 ' HG3' HG21 ' A' ' 10' ' ' THR . 9.0 tp10 -70.65 -18.46 62.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.794 175.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.52 -169.0 20.86 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -174.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.6 m -81.16 103.22 10.81 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -84.65 101.48 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.538 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.493 ' HE2' ' HB3' ' A' ' 106' ' ' MET . 36.5 ttp -92.98 115.47 28.15 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.26 0.552 . . . . 0.0 110.118 -179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.813 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 63.1 mtp85 -90.4 108.96 20.11 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.132 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -90.5 83.47 5.87 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.147 0.498 . . . . 0.0 109.835 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.542 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 10.2 m -85.8 94.74 9.21 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.82 179.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.553 ' HG3' HG12 ' A' ' 93' ' ' ILE . 31.4 tt0 -89.2 100.45 13.23 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.7 109.28 20.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.593 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.507 ' HD2' ' HG2' ' A' ' 114' ' ' MET . 50.6 p90 -126.51 145.72 50.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.16 0.505 . . . . 0.0 111.133 -175.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.63 ' HB3' ' HB3' ' A' ' 90' ' ' TYR . . . -113.19 133.32 55.11 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 176.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.507 ' HG2' ' HD2' ' A' ' 112' ' ' PHE . 96.7 mmm -127.95 104.94 8.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.859 0.361 . . . . 0.0 111.547 -176.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.574 ' HB3' ' NZ ' ' A' ' 115' ' ' LYS . 8.2 mtpm? -144.59 30.44 0.09 OUTLIER Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 175.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 115' ' ' LYS . 93.5 Cg_endo -83.91 17.0 1.78 Allowed 'Trans proline' 0 C--N 1.362 1.251 0 CA-C-N 121.145 1.445 . . . . 0.0 110.224 168.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.17 37.43 11.34 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.254 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.474 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -72.02 135.83 82.53 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.161 178.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 10.6 Cg_exo -72.93 48.66 1.44 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.674 2.916 . . . . 0.0 113.1 -177.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.9 m -115.65 139.99 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.762 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -80.21 11.69 3.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 -177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 69.42 -50.26 0.61 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.772 0.829 . . . . 0.0 110.442 -173.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.02 70.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -63.04 -37.06 85.67 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 121.156 0.503 . . . . 0.0 110.133 176.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 92.4 mmm -71.7 -46.99 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.978 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 41.9 m -56.4 -41.71 76.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 131' ' ' ARG . 7.1 t70 -58.89 -55.22 37.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.718 176.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -44.75 88.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.625 -176.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.96 -40.6 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.679 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.57 -55.54 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.621 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 127' ' ' ASP . 33.9 mtt180 -61.41 -42.71 99.16 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 -178.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -63.39 -52.32 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.735 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 137' ' ' MET . 21.6 m -63.58 -42.97 98.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -55.16 -47.5 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.326 . . . . 0.0 110.478 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 26.0 m -67.04 -54.8 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.193 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -61.08 -43.6 98.64 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.474 ' SD ' HD12 ' A' ' 140' ' ' ILE . 82.9 mmm -75.52 -15.75 60.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.988 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.5 62.71 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 172.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.45 -40.09 81.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.617 173.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.474 HD12 ' SD ' ' A' ' 137' ' ' MET . 42.8 mt -70.66 -44.78 76.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.53 176.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -51.44 -49.89 60.8 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 122.9 0.125 . . . . 0.0 110.822 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -53.3 -55.04 27.91 Favored 'General case' 0 CA--C 1.52 -0.21 0 O-C-N 123.418 0.449 . . . . 0.0 111.286 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 143' ' ' ARG . 50.0 mtm-85 -71.38 -31.21 67.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.068 -175.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.8 mm -68.13 -49.07 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.013 0.435 . . . . 0.0 110.133 175.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.55 -43.73 98.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.176 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -64.14 -43.86 93.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.16 93.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.011 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.413 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -65.98 -36.86 84.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -68.93 -37.74 83.94 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.233 -0.508 . . . . 0.0 112.469 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -70.57 -21.14 62.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 0.0 110.352 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -83.72 -53.03 5.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.194 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 152' ' ' ARG . 31.0 mtp-105 -104.55 71.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 110.185 175.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 31.8 m -79.53 106.14 11.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.053 0.454 . . . . 0.0 110.627 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -94.81 92.09 6.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.89 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 19.5 m -80.77 -15.59 56.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.24 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 18.9 m -130.62 175.68 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.216 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 94.8 mt -88.17 5.6 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.162 0.506 . . . . 0.0 111.106 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -104.61 139.51 39.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.31 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -69.57 133.47 47.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.901 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 91.6 mt -83.6 -23.93 31.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.33 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.65 120.2 24.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.734 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -84.59 5.19 28.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.223 0.535 . . . . 0.0 110.878 -175.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.78 101.14 6.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 168.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -77.15 15.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.948 -168.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -137.36 123.39 20.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -76.75 -34.1 58.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.713 -0.661 . . . . 0.0 109.518 174.877 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mmm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . . . -114.82 110.6 19.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.881 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.76 166.2 13.55 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.089 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -126.12 101.3 6.71 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.872 0.368 . . . . 0.0 110.844 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.485 HG23 HG23 ' A' ' 126' ' ' THR . 28.2 m -86.99 109.52 19.44 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 175.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -112.81 96.07 5.76 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.164 0.507 . . . . 0.0 110.19 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.544 ' ND2' ' HB2' ' A' ' 108' ' ' TRP . 1.2 p-10 -107.19 103.28 12.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.566 0.698 . . . . 0.0 110.435 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.993 ' HG2' ' HG2' ' A' ' 107' ' ' ARG . 38.1 mt-10 -88.17 130.35 35.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.801 -177.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 137' ' ' MET . 50.0 mm -122.02 112.78 36.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.183 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 105' ' ' VAL . 20.4 m -80.77 106.65 12.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.644 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.466 HG12 ' HG2' ' A' ' 141' ' ' ARG . 58.7 mt -94.35 133.37 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.974 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.25 26.8 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.968 0.413 . . . . 0.0 111.821 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.91 143.4 36.67 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.855 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HG2' HD13 ' A' ' 17' ' ' LEU . 29.4 Cg_endo -63.89 152.48 80.56 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' A' ' 99' ' ' GLU . 75.0 mtp -59.92 -32.81 71.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.094 -173.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -63.23 -47.25 83.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.01 0.433 . . . . 0.0 110.63 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.785 HD23 ' HB1' ' A' ' 148' ' ' ALA . 9.9 mp -72.44 -34.09 67.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.552 -178.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.501 ' HA ' HD11 ' A' ' 144' ' ' ILE . 91.5 t -63.76 -47.47 90.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.051 174.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.465 ' O ' ' HB2' ' A' ' 23' ' ' ASN . 15.6 t-105 -59.02 -54.43 47.19 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.803 -178.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.8 t -65.17 -26.87 68.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.63 0.234 . . . . 0.0 111.63 -175.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 75.4 mmm -82.99 -39.31 21.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 p -88.99 -7.24 56.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.845 0.355 . . . . 0.0 111.418 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.651 ' HA ' HH12 ' A' ' 69' ' ' ARG . 62.6 t30 -72.91 -28.8 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.545 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.679 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 11.6 m-20 -81.79 104.3 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.497 HD12 HG12 ' A' ' 38' ' ' VAL . 34.6 pt -70.04 -18.28 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.168 0.509 . . . . 0.0 110.899 -176.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.66 -5.17 38.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.645 177.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.679 ' HD2' ' HB2' ' A' ' 24' ' ' ASP . 91.3 mttt -100.8 -11.79 19.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.108 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.54 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 45.3 m0 -59.87 -50.69 85.34 Favored Pre-proline 0 C--O 1.224 -0.278 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.864 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 16.0 Cg_endo -57.83 -17.12 28.48 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.251 1.967 . . . . 0.0 113.042 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.72 -36.9 21.42 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.966 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.451 HD23 HG23 ' A' ' 140' ' ' ILE . 9.3 mp -93.62 -20.65 19.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.625 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' CE1' HD11 ' A' ' 140' ' ' ILE . 4.4 m-85 -97.81 147.55 24.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.531 0.682 . . . . 0.0 112.332 -177.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.9 m -101.56 -28.82 12.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.779 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.24 -52.37 8.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.011 0.434 . . . . 0.0 111.293 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -82.97 108.32 16.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.652 -174.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.91 59.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.928 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.529 ' HB2' ' HB ' ' A' ' 53' ' ' THR . 49.8 m -149.76 136.83 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.193 0.521 . . . . 0.0 110.83 178.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.497 HG12 HD12 ' A' ' 25' ' ' ILE . 90.2 t -128.68 102.11 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.977 178.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -120.28 156.04 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.474 -0.491 . . . . 0.0 112.219 -173.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' CG2' HD11 ' A' ' 25' ' ' ILE . 41.0 t -90.4 116.01 30.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.595 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.487 HD11 ' HD2' ' A' ' 51' ' ' ARG . 83.8 mt -81.04 -38.93 26.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.55 157.14 29.49 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -144.68 137.13 26.38 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 118.241 1.021 . . . . 0.0 110.923 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -115.67 51.2 0.95 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 61.23 -79.51 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.339 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -65.45 -37.74 87.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.043 0.449 . . . . 0.0 109.868 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -115.58 115.12 25.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.822 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 69' ' ' ARG . 5.9 p -99.64 119.14 47.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.155 0.502 . . . . 0.0 110.151 175.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -86.31 96.51 9.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.882 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 69' ' ' ARG . 34.1 p90 -107.38 154.77 20.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.75 -174.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HD2' HD11 ' A' ' 41' ' ' LEU . 70.2 ttt180 -112.26 118.94 36.68 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.878 178.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.743 ' O ' ' HA ' ' A' ' 64' ' ' SER . 80.7 mt -84.57 111.48 19.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.027 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.529 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 25.5 m -101.2 114.76 29.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.97 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.4 ' HB3' ' H ' ' A' ' 55' ' ' HIS . 44.9 mtt -96.19 -157.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.657 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.4 ' H ' ' HB3' ' A' ' 54' ' ' MET . 76.8 t60 -89.86 139.15 27.58 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.219 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.795 ' HG3' HG22 ' A' ' 62' ' ' VAL . 76.2 Cg_exo -51.55 125.38 16.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.22 2.613 . . . . 0.0 112.236 174.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -79.44 169.97 17.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.697 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.17 -13.93 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.735 0.302 . . . . 0.0 111.442 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.63 -15.53 62.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.403 0.621 . . . . 0.0 110.003 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.28 27.15 31.38 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.257 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -130.81 138.72 50.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.795 HG22 ' HG3' ' A' ' 56' ' ' PRO . 21.7 t -82.8 123.64 38.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.881 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -72.96 94.24 1.83 Allowed 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.393 0.615 . . . . 0.0 109.773 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.743 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 5.8 p -133.28 103.6 6.06 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.171 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -111.35 162.11 15.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.072 0.463 . . . . 0.0 111.502 -175.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.8 t -96.18 130.32 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.837 -176.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.5 m -138.83 154.76 48.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.115 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -109.24 126.26 53.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.569 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.651 HH12 ' HA ' ' A' ' 23' ' ' ASN . 23.7 ttp180 -108.37 110.36 21.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.942 0.401 . . . . 0.0 110.493 177.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 t -97.85 106.27 18.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.722 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.03 105.44 17.58 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.158 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 21.4 t70 -110.85 112.18 56.09 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.944 0.402 . . . . 0.0 111.116 -178.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 12.2 Cg_exo -70.77 -21.35 28.92 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.164 2.576 . . . . 0.0 112.373 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.6 -54.19 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.773 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 m -74.6 -15.17 60.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.039 0.447 . . . . 0.0 110.084 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 62.12 43.73 8.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.073 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.413 HG23 ' HA ' ' A' ' 96' ' ' GLU . 92.7 m -150.03 139.63 21.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.698 -174.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 63.9 t -107.37 131.52 57.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.096 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -110.96 116.87 31.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.702 0.287 . . . . 0.0 110.751 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -111.93 95.15 5.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.054 0.455 . . . . 0.0 110.444 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -98.85 130.25 45.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.155 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -93.0 110.18 21.64 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.102 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.32 -46.45 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -84.39 109.33 17.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.946 174.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.9 p -95.02 -55.24 3.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.872 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.434 ' HA3' ' HD3' ' A' ' 87' ' ' PRO . . . 99.6 -114.01 4.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.009 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.434 ' HD3' ' HA3' ' A' ' 86' ' ' GLY . 7.4 Cg_exo -74.25 -6.77 18.89 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.025 2.483 . . . . 0.0 112.326 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -106.36 170.23 8.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.632 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -97.26 -40.31 8.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.077 0.465 . . . . 0.0 109.954 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -150.02 144.42 25.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.865 -177.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 50.3 ttm -153.11 110.58 3.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 110.532 176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -117.33 108.83 16.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.471 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.531 HG23 ' HG2' ' A' ' 110' ' ' GLN . 35.6 mt -92.11 108.03 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.909 0.385 . . . . 0.0 110.274 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.7 t -93.94 111.73 25.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.513 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 20.9 m0 -86.24 83.32 7.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.655 ' HB3' ' HB2' ' A' ' 107' ' ' ARG . 33.1 tt0 -90.11 111.2 22.25 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.476 -174.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.418 ' HE2' HG23 ' A' ' 78' ' ' VAL . 92.8 m-85 -91.28 122.29 33.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.958 0.408 . . . . 0.0 110.772 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.563 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -105.9 113.88 27.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.464 ' HB2' ' SD ' ' A' ' 15' ' ' MET . 41.6 tt0 -77.94 101.56 6.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.539 -177.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.8 m -114.31 158.45 21.43 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.483 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.75 -7.83 56.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.265 0.555 . . . . 0.0 110.581 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -91.24 -4.17 56.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.049 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.46 -179.69 16.57 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.686 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 56.4 m -81.45 106.87 13.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 58.9 t -80.18 97.5 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 40.9 ttp -86.07 110.93 19.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.429 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.993 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 91.2 mtt180 -90.07 112.59 24.08 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.095 178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.544 ' HB2' ' ND2' ' A' ' 7' ' ' ASN . 5.3 m95 -92.05 84.92 5.37 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 170.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.1 m -88.12 98.27 11.45 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.695 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.531 ' HG2' HG23 ' A' ' 93' ' ' ILE . 75.5 mt-30 -88.95 104.78 17.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.124 0.487 . . . . 0.0 110.349 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -83.16 101.53 11.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.864 176.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -119.6 145.25 46.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.26 0.552 . . . . 0.0 111.088 -175.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 2' ' ' ALA . . . -130.69 121.02 24.75 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.886 176.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 39.9 ttm -100.88 145.45 28.58 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.9 ' HA ' ' HE3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -131.58 -55.19 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.969 -175.024 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.569 ' HD2' ' H ' ' A' ' 115' ' ' LYS . 9.3 Cg_endo -55.14 -18.37 17.52 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.094 1.863 . . . . 0.0 113.511 174.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 68.05 78.29 0.23 Allowed 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.363 0.601 . . . . 0.0 111.328 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.54 167.59 29.11 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.651 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -68.22 1.25 3.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.617 2.211 . . . . 0.0 112.929 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 28.0 m -109.09 121.03 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.23 0.538 . . . . 0.0 110.361 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.85 176.02 8.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.629 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.78 -47.92 64.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.624 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.23 84.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.543 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -65.88 -49.37 68.31 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 68.1 mtp -59.68 -52.48 65.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.098 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.485 HG23 HG23 ' A' ' 5' ' ' THR . 95.2 m -56.71 -44.47 81.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.479 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.11 -44.0 81.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.916 0.389 . . . . 0.0 110.507 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.95 -46.71 77.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.801 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.45 HD13 ' OE1' ' A' ' 110' ' ' GLN . 96.2 mt -64.22 -40.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.988 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -57.2 -47.84 80.26 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.019 0.438 . . . . 0.0 110.339 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -58.19 -49.07 78.33 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.132 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -62.18 -48.11 81.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.976 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.7 t -64.99 -36.63 85.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.825 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 134' ' ' ARG . 30.2 ttt85 -56.29 -49.91 72.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.972 0.415 . . . . 0.0 110.661 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.2 m -71.78 -47.35 54.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -64.09 -46.06 85.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.823 -175.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.521 ' HB3' HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -78.34 -21.96 48.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.534 -175.734 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.86 98.08 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 143' ' ' ARG . 49.6 tp -57.46 -47.51 81.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.92 174.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.462 HD11 ' CE1' ' A' ' 32' ' ' PHE . 74.0 mt -56.65 -46.17 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.908 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.466 ' HG2' HG12 ' A' ' 11' ' ' ILE . 38.1 mtm105 -49.71 -63.13 1.2 Allowed 'General case' 0 CA--C 1.519 -0.232 0 O-C-N 123.382 0.426 . . . . 0.0 111.795 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.36 -32.88 74.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.838 -174.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 139' ' ' LEU . 17.0 mtp180 -72.33 -45.46 59.84 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.252 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.501 HD11 ' HA ' ' A' ' 18' ' ' VAL . 14.3 tt -72.02 -27.38 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.078 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.2 -42.88 83.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.34 -46.53 79.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.887 175.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.68 83.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.422 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.785 ' HB1' HD23 ' A' ' 17' ' ' LEU . . . -75.03 -35.45 61.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.779 178.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -63.15 -47.1 91.14 Favored Glycine 0 C--N 1.331 0.285 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 175.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.43 ' OE1' ' HD3' ' A' ' 152' ' ' ARG . 90.4 mt-10 -64.15 -35.16 79.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.157 0.503 . . . . 0.0 109.681 173.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 151' ' ' ARG . 4.9 ttm180 62.22 47.59 5.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.816 179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . 0.43 ' HD3' ' OE1' ' A' ' 150' ' ' GLU . 44.2 mmm-85 -60.31 100.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.371 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 5.7 m -86.99 -36.49 18.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.204 0.526 . . . . 0.0 109.86 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -75.99 101.5 5.26 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.743 175.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 56.1 m -75.85 83.5 2.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.926 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 4.7 p -108.65 107.97 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.559 0.695 . . . . 0.0 109.746 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 92.7 mt -79.89 -12.5 59.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.953 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -93.49 -7.67 43.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.001 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 53.17 84.99 0.05 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.77 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 40.0 tp -81.13 -11.89 59.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.772 0.796 . . . . 0.0 109.298 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.24 155.03 32.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.307 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -114.08 95.2 5.18 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 173.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -81.86 103.53 11.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.498 -175.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -80.49 116.38 20.5 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -73.41 15.73 0.23 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -166.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 62.41 37.23 13.78 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.778 0.323 . . . . 0.0 111.527 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.272 -0.871 . . . . 0.0 109.696 177.413 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.562 ' HG3' ' HG3' ' A' ' 115' ' ' LYS . 4.5 mpp? . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.734 0.302 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.31 110.83 4.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.318 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.15 163.22 12.6 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.02 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -125.87 132.85 52.1 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.576 ' HB ' ' HB2' ' A' ' 110' ' ' GLN . 7.1 m -136.46 155.52 49.88 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -139.44 107.71 5.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.551 0.691 . . . . 0.0 110.229 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.86 ' HB2' ' HB2' ' A' ' 108' ' ' TRP . 15.9 m120 -97.52 91.61 5.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.813 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.479 ' HG2' ' CB ' ' A' ' 107' ' ' ARG . 9.0 mt-10 -95.21 125.09 39.61 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.08 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.855 HG13 ' HB3' ' A' ' 137' ' ' MET . 28.4 mm -121.18 122.15 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.29 174.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 m -78.57 103.85 8.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.195 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.555 HG12 ' HG3' ' A' ' 141' ' ' ARG . 40.1 mt -97.94 124.42 50.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 110.77 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.73 55.12 3.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.235 0.54 . . . . 0.0 110.67 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.49 148.07 54.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.895 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 148' ' ' ALA . 52.7 Cg_exo -56.07 135.89 72.15 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.146 2.564 . . . . 0.0 112.274 177.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.48 ' SD ' ' HG2' ' A' ' 99' ' ' GLU . 84.9 mtp -57.49 -40.87 79.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.05 -174.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.81 -42.61 97.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' HA ' HG22 ' A' ' 20' ' ' THR . 25.2 tp -72.77 -40.56 65.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.7 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -58.23 -42.38 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.243 0.545 . . . . 0.0 110.297 174.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -65.46 -48.28 73.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.94 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.491 HG22 ' HA ' ' A' ' 17' ' ' LEU . 14.3 t -70.97 -31.73 68.38 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.476 -176.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.2 mtp -76.06 -24.41 55.13 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.169 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 p -85.87 -20.29 29.3 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.451 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -79.42 -28.55 41.76 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 170.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.52 61.56 0.7 Allowed 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.868 170.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.589 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 12.1 pt -59.88 -24.15 28.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.039 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.3 -15.64 60.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.912 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -95.21 -1.22 52.12 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.385 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.589 ' CZ2' HG22 ' A' ' 25' ' ' ILE . 43.4 m0 -58.0 -42.8 97.05 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 28' ' ' TRP . 18.4 Cg_endo -61.67 -14.69 37.37 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.047 1.832 . . . . 0.0 112.766 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.02 -12.16 62.3 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.529 HD23 HG23 ' A' ' 140' ' ' ILE . 11.0 mp -96.81 -55.49 2.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CE2' HD13 ' A' ' 139' ' ' LEU . 14.2 t80 -114.49 148.39 37.93 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 p -98.97 20.57 13.03 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -167.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -102.92 -30.26 10.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.958 0.408 . . . . 0.0 111.107 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -74.84 138.64 42.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.237 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.36 -76.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.044 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 m -130.06 109.44 10.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.015 0.436 . . . . 0.0 110.983 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.65 HG22 ' HG ' ' A' ' 52' ' ' LEU . 43.4 t -88.26 106.31 16.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -93.86 112.05 23.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.054 0.454 . . . . 0.0 110.975 -173.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.446 HG22 HD11 ' A' ' 25' ' ' ILE . 46.7 t -77.45 112.83 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.729 176.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.499 HD12 HG22 ' A' ' 49' ' ' THR . 84.5 mt -85.75 -19.27 31.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.153 0.501 . . . . 0.0 110.297 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.36 164.79 10.44 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.445 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 36.6 ptt85 -122.91 109.45 14.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.264 0.554 . . . . 0.0 110.457 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -89.31 86.48 6.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.482 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.69 -85.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.526 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -102.39 -27.61 12.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.335 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.837 ' HG2' HG22 ' A' ' 70' ' ' VAL . 99.5 mttt -88.84 100.51 13.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.593 0.235 . . . . 0.0 111.015 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.557 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 7.0 p -88.69 114.13 26.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.456 0.646 . . . . 0.0 109.351 173.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.499 HG22 HD12 ' A' ' 41' ' ' LEU . 15.8 m -90.56 124.11 34.76 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.278 -176.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.401 ' HB3' HD12 ' A' ' 25' ' ' ILE . 37.8 p90 -133.05 135.89 45.63 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.482 0.658 . . . . 0.0 111.253 178.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 65' ' ' TRP . 41.1 ttt180 -105.27 103.5 13.05 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.638 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.65 ' HG ' HG22 ' A' ' 38' ' ' VAL . 5.0 tt -83.1 110.64 18.18 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.0 m -77.23 118.63 19.92 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.432 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 71.5 mtp -82.73 152.76 25.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.319 -175.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -60.64 145.32 87.86 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.905 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -44.2 123.03 4.03 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.495 2.797 . . . . 0.0 113.175 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.08 157.88 14.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.438 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.78 -30.05 63.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.202 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.82 -29.13 55.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.912 0.387 . . . . 0.0 110.818 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.63 -24.52 4.61 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.297 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.56 148.14 43.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 111.326 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.4 t -105.96 119.74 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -100.64 -175.25 2.85 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.783 0.801 . . . . 0.0 111.491 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.6 m -166.84 173.78 9.15 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.894 -1.503 . . . . 0.0 108.698 -176.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.565 ' CZ2' HD13 ' A' ' 52' ' ' LEU . 8.9 p90 -150.24 142.6 24.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.295 167.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' H ' ' HB3' ' A' ' 84' ' ' GLU . 48.1 t -99.35 117.06 43.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.084 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 p -138.74 149.29 44.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.723 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -114.08 128.28 56.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.242 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HB3' HG13 ' A' ' 48' ' ' VAL . 14.5 ttt180 -101.81 108.77 20.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.637 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.837 HG22 ' HG2' ' A' ' 47' ' ' LYS . 25.9 t -91.77 105.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.569 176.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.404 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -95.69 105.76 17.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.443 -176.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.9 99.89 18.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.388 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 71' ' ' ALA . 22.0 Cg_exo -65.08 -43.37 11.68 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 123.06 2.507 . . . . 0.0 112.645 -175.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.36 -39.82 85.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.124 0.488 . . . . 0.0 110.481 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 m -79.69 -12.8 59.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.239 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? 60.98 27.32 17.21 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 110.717 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.0 m -128.48 115.19 17.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.989 0.423 . . . . 0.0 111.164 -173.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.604 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 70.3 t -98.74 111.58 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 175.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -93.42 102.65 14.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.996 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.28 99.83 11.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.298 0.57 . . . . 0.0 109.746 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -92.53 116.46 29.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.594 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.586 ' HB3' ' HB2' ' A' ' 91' ' ' MET . 0.7 OUTLIER -83.72 98.72 9.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.665 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.08 -47.12 82.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.31 0.576 . . . . 0.0 110.268 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' HB3' ' H ' ' A' ' 66' ' ' VAL . 42.0 tt0 -88.26 97.96 11.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.631 177.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.464 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 5.5 p -91.27 -62.95 1.33 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.899 -176.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.99 -108.33 3.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.739 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.17 -13.92 37.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.909 2.406 . . . . 0.0 111.678 176.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.464 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 58.5 m-85 -97.67 158.23 15.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.491 178.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -91.19 -58.53 2.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.194 0.521 . . . . 0.0 109.886 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.485 ' CE2' ' HB2' ' A' ' 92' ' ' ASN . 68.1 t80 -143.71 126.73 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.769 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.586 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 95.4 mmm -112.89 104.0 11.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.512 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.754 ' HB3' ' HB2' ' A' ' 111' ' ' ASP . 11.7 t30 -100.03 96.76 7.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.558 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.5 mt -101.32 102.26 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.226 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.562 ' HB ' ' HB ' ' A' ' 109' ' ' THR . 65.7 t -98.59 111.68 28.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.008 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.604 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 19.1 m0 -89.11 91.84 8.96 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 173.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -92.1 125.21 36.69 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -97.57 115.74 28.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.78 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.442 ' HB3' ' HB ' ' A' ' 105' ' ' VAL . . . -106.08 112.28 25.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.161 0.505 . . . . 0.0 111.017 -177.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.48 ' HG2' ' SD ' ' A' ' 15' ' ' MET . 41.9 mt-10 -66.86 104.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.722 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 m -128.68 158.55 38.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.242 -174.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.52 -41.6 69.88 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -176.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.53 -21.27 60.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.331 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.81 -169.26 29.96 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.239 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 m -80.85 100.87 9.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.99 0.424 . . . . 0.0 110.008 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.442 ' HB ' ' HB3' ' A' ' 98' ' ' ALA . 60.1 t -82.3 100.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.031 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 52.6 ttp -93.21 115.17 27.79 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.479 ' CB ' ' HG2' ' A' ' 8' ' ' GLU . 31.4 ptt180 -114.56 129.07 56.63 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.781 0.8 . . . . 0.0 112.061 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.86 ' HB2' ' HB2' ' A' ' 7' ' ' ASN . 11.5 m0 -81.48 88.71 6.14 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.132 -1.395 . . . . 0.0 110.138 177.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.562 ' HB ' ' HB ' ' A' ' 94' ' ' VAL . 63.5 m -76.64 108.28 9.53 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.751 175.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.822 HE21 ' HB3' ' A' ' 108' ' ' TRP . 80.5 mm-40 -98.38 108.26 20.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.947 -175.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.754 ' HB2' ' HB3' ' A' ' 92' ' ' ASN . 32.1 m-20 -106.53 93.46 4.6 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 171.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -108.8 130.11 55.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.351 0.596 . . . . 0.0 111.611 -172.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -113.2 116.8 30.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.48 174.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.4 ' SD ' ' HG3' ' A' ' 125' ' ' MET . 23.0 ptm -159.32 151.25 20.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.159 -177.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.562 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 6.5 tmtt? -175.54 -54.66 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 O-C-N 123.309 0.381 . . . . 0.0 110.955 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 3.9 Cg_endo -45.87 111.72 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 122.976 2.451 . . . . 0.0 113.464 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.19 -16.75 0.5 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.114 174.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 119' ' ' PRO . . . -86.73 120.38 71.77 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.751 0.31 . . . . 0.0 110.801 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 118' ' ' ALA . 18.5 Cg_endo -87.65 77.58 1.76 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.813 2.342 . . . . 0.0 111.862 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.31 149.68 33.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.643 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -108.88 24.34 13.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 71.32 -56.99 0.62 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.751 -174.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.45 -41.91 66.62 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.522 0.514 . . . . 0.0 111.201 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -52.0 -56.62 13.16 Favored 'General case' 0 C--O 1.228 -0.066 0 O-C-N 123.615 0.572 . . . . 0.0 110.745 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.44 ' O ' HG13 ' A' ' 129' ' ' ILE . 95.7 mmm -65.88 -42.09 90.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 -177.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 62.1 m -54.15 -52.73 60.21 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.324 0.39 . . . . 0.0 111.483 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.507 ' HA ' ' ND2' ' A' ' 130' ' ' ASN . 24.4 t70 -82.01 -26.66 33.65 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.008 -175.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -63.16 -42.96 99.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.585 HG21 ' HG3' ' A' ' 110' ' ' GLN . 74.4 mt -60.16 -41.12 85.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.193 175.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.514 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 95.4 m-20 -52.6 -54.38 33.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.802 0.334 . . . . 0.0 110.427 176.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -60.07 -50.05 75.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.479 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.91 -48.76 73.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.325 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.4 t -66.64 -42.24 87.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.247 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.514 ' NH1' ' HB3' ' A' ' 130' ' ' ASN . 47.6 mtm-85 -61.38 -40.58 94.86 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.473 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 58.4 m -59.47 -49.47 77.65 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 120.9 0.381 . . . . 0.0 110.327 177.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -60.31 -57.59 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.89 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.855 ' HB3' HG13 ' A' ' 9' ' ' ILE . 31.0 mmt -63.01 -37.33 86.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.513 -173.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.87 86.69 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.486 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.49 HD13 ' CE2' ' A' ' 32' ' ' PHE . 8.2 tt -67.48 -46.28 73.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.099 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.529 HG23 HD23 ' A' ' 31' ' ' LEU . 66.5 mt -65.74 -38.21 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.293 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.555 ' HG3' HG12 ' A' ' 11' ' ' ILE . 13.3 ttp180 -54.93 -50.35 69.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.223 175.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.94 -35.38 73.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.106 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -69.99 -43.62 71.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.607 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 31.2 mm -62.52 -52.42 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.753 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.83 -35.14 78.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -62.64 -49.56 74.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.086 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.36 92.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.916 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 14' ' ' PRO . . . -69.63 -15.58 63.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -93.62 -41.13 4.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.432 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 152' ' ' ARG . 56.0 mt-10 -77.67 3.03 14.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.672 -0.264 . . . . 0.0 111.277 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -58.02 133.44 55.53 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 150' ' ' GLU . 74.0 mtt180 -120.65 154.28 35.72 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.592 -174.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 3.3 p -80.02 36.7 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.51 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -74.69 117.5 16.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.539 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 7.0 p -74.26 142.88 45.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.804 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 41.9 t -67.41 -28.96 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.93 -10.48 59.53 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.96 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . 71.46 148.24 0.08 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 124.234 0.959 . . . . 0.0 112.023 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -103.54 -50.46 3.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.956 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 63.5 tp -58.5 -72.13 0.1 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.137 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -91.75 -179.67 5.39 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 170.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -132.12 158.0 42.78 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.951 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -64.09 -28.58 69.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.905 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -113.5 128.58 56.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 170.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -71.23 -24.94 62.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.996 -173.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -126.23 132.86 51.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.94 0.4 . . . . 0.0 110.702 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 23.9 p80 . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.312 . . . . . . . . 0 0 . 1 stop_ save_